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2-Amino-5,6-dimethylbenzothiazole

HCID 34757
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
29927-08-0
Standard SMILES
Cc1cc2nc(N)sc2cc1C
InChIKey
IODWHFFPQHUDAG-UHFFFAOYSA-N
Molecular formula
C9H10N2S
Average molar mass
178.26 g/mol
Monoisotopic mass
178.0564695

Overview

2-amino-5,6-dimethylbenzothiazole is an off-white crystalline solid. (NTP, 1992)

Names & identifiers

Preferred name
2-Amino-5,6-dimethylbenzothiazole
IUPAC
5,6-dimethyl-1,3-benzothiazol-2-amine
English name
2-Amino-5,6-dimethylbenzothiazole
Molecular formula
C9H10N2S
Molecular weight
178.25

Names & synonyms

29927-08-02-AMINO-5,6-DIMETHYLBENZOTHIAZOLE5,6-dimethyl-2-benzothiazolamine5,6-Dimethyl-2-aminobenzothiazoleDTXSID00244785,6-Dimethylbenzothiazol-2-ylamineEINECS 249-960-46YBU8Z59YSNSC-140729Benzothiazole, 2-amino-5,6-dimethyl-DTXCID504478NSC 140729
Show more names
AKOS B014634TIMTEC-BB SBB003762ART-CHEM-BB B014634LABOTEST-BB LT000807185,6-Dimethylbenzothiazol-2-amine
AMINO-5,6-DIMETHYLBENZOTHIAZOLE, 2-RefChem:4644235,6-Dimethylbenzo[d]thiazol-2-amine5,6-Dimethyl-1,3-benzothiazol-2-amine2-Amino-5,6-dimethyl-1,3-benzothiazol2-Benzothiazolamine, 5,6-dimethyl-MFCD000057905,6-dimethylbenzothiazole-2-ylamine

Database identifiers

CAS
29927-08-0
PubChem CID
34757
DTXSID
DTXSID0024478
ChEMBL
CHEMBL1499536
UNII

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
67.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
12
Formal charge
0
Complexity
174

Experimental & physicochemical properties

Solubilityless than 1 mg/mL at 68 °F (NTP, 1992)
Melting Point365 to 372 °F (NTP, 1992)
Physical Description2-amino-5,6-dimethylbenzothiazole is an off-white crystalline solid. (NTP, 1992)

Physicochemical properties

Melting point
185 · 185-189 °C(lit.)
Boiling point
342.1 · 342.1±45.0 °C(Predicted)
Density
1.1355 · 1.1355 (rough estimate)
refractive index
1.53 · 1.5300 (estimate)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
solubility
DMSO (Sparingly), Methanol (Slightly)
pka
4.79 · 4.79±0.10(Predicted)
form
Solid
color
Off-White to Yellow

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition, this compound may emit toxic fumes of NOx and SOx. (NTP, 1992)
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile · 1 item

An amine, organosulfide. Organosulfides are incompatible with acids, diazo and azo compounds, halocarbons, isocyanates, aldehydes, alkali metals, nitrides, hydrides, and other strong reducing agents. Reactions with these materials generate heat and in many cases hydrogen gas. Many of these compounds may liberate hydrogen sulfide upon decomposition or reaction with an acid. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.

Air and Water Reactions

Chemistry & industry

Applications

Uses2-Amino-5,6-dimethylbenzothiazole can be used as anti-inflammatory and neuroprotective properties.

General DescriptionOff-white crystalline solid.

Upstream & downstream products

Upstream raw materials

Ammonium thiocyanateChlorobenzene3,4-Dimethylaniline

Downstream products

Benzenethiol, 2-amino-4,5-dimethyl-2-Chloro-N-(5,6-dimethyl-benzothiazol-2-yl)-acetamide

Suppliers76 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西格列弗生物科技研究有限责任公司18409274651; 13892423764 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Related reactions

6 records
New reaction record
HRID 121296 reaction equation
HRID 121296As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 128274 reaction equation
HRID 128274As reactantuspto-grants-1981_03
HRID 669014 reaction equation
HRID 669014As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 944333 reaction equation
HRID 944333As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1087463 reaction equation
HRID 1087463As reactantuspto-grants-1991_07
HRID 1578513 reaction equation
HRID 1578513As reactantuspto-grants-1976_02

Compound notes

Loading…

On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
6YBU8Z59YS
EC Number
249-960-4
Nikkaji
J124.127C
CAS DataBase Reference
29927 · 29927-08-0(CAS DataBase Reference)
FDA UNII
6 YBU8Z59YS · 6YBU8Z59YS
EPA Substance Registry System
2 · 2-Amino-5,6-dimethylbenzothiazole (29927-08-0)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes
Xi
Risk Statements
36 · 36/37/38
Safety Statements
26 · 26-37/39
WGK Germany
3 · 3
HS Code
29341000 · 29341000
Insoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety & protection

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 item

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 item

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 item

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Safety data

wgk
3
hs_code
29341000
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26-37/39
Hazard statements
H315-H319-H335
Precautionary statements
P261-P264-P271-P280-P302+P352-P305+P351+P338
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
重庆科脉材料科技有限公司13370757113 · [email protected]
Aceschem Inc.+1-817863-6948 +1-(817)863-6948 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
赛默飞世尔科技(中国)有限公司800-810-5118 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
苏州亚科科技股份有限公司0512-87182055 13451648594 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
普善实业(陕西)有限公司029-81310890 18165209495 · [email protected]
常州言己生物科技有限公司0519-83556355 18015005120 · [email protected]
盐城希曼生物科技有限公司0515-88280676; 18921872653 · [email protected]
常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
艾吉析科技(上海)有限公司17717235263 17717235263 · [email protected]
南京普鑫医药科技有限公司17366295326 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
成都润泽本土化工有限公司028-88469284 18000562381 · [email protected]
上海堃泽医药科技有限公司021-68712331 3286104197
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
南京博米尔生物科技有限公司025-83453382-8005 · [email protected]