2-Amino-6-methylbenzothiazole

HCID 17335
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Basic information

CAS
2536-91-6
Standard SMILES
Cc1ccc2nc(N)sc2c1
InChIKey
DZWTXWPRWRLHIL-UHFFFAOYSA-N
Molecular formula
C8H8N2S
Average molar mass
164.23 g/mol
Monoisotopic mass
164.04081926

Names & identifiers

Preferred name
2-Amino-6-methylbenzothiazole
IUPAC
6-methyl-1,3-benzothiazol-2-amine
English name
2-Amino-6-methylbenzothiazole
Molecular formula
C8H8N2S
Molecular weight
164.23

Names & synonyms

2-Amino-6-methylbenzothiazole2536-91-66-Methyl-1,3-benzothiazol-2-amine2-Benzothiazolamine, 6-methyl-6-Methyl-2-aminobenzothiazole6-Methyl-2-benzothiazolylamineBENZOTHIAZOLE, 2-AMINO-6-METHYL-2-Methylbenzothiazol-2-amine6-Methyl-2-benzothiazolamineSKF 1045NSC 127602-Amino-6-methyl-benzothiazole
Show more names
6-METHYLBENZO[D]THIAZOL-2-AMINEAURORA 18562ASISCHEM C58427AKOS BBS-00005695IFLAB-BB F1386-0393TIMTEC-BB SBB000152Amino-6-methylbenzothiazole2-Amino-6-methylbenzthiazol
6-Methylbenzothiazol-2-ylamineNSC 118944EINECS 219-801-3BRN 0122040NSC-127606-methyl-1,3-benzothiazol-2-ylamine8372J8V89NNSC-118944

Database identifiers

CAS
2536-91-6
PubChem CID
17335
DTXSID
DTXSID0062501
ChEMBL
CHEMBL94512
UNII
8372J8V89N
EC Number
219-801-3
Nikkaji
J36.087B

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
67.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
11

Physicochemical properties

Melting point
140 · 140-142 °C (lit.)
Boiling point
322 · 322.0±35.0 °C(Predicted)
Density
1.1724 · 1.1724 (rough estimate)
refractive index
1.57 · 1.5700 (estimate)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
solubility
soluble in Methanol

Safety & regulation

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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: 2-Benzothiazolamine, 6-methyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk
3
tsca
TSCA listed
rtecs
DL2625000
hs_code
29342000
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Benzothiazolamine, 6-methyl-: INACTIVE

Applications

Uses2-Amino-6-methylbenzothiazole was used in the preparation of 2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-N-[2-(substituted phenyl/furan-2-yl)-4-oxo-1,3-thiazolidin-3-yl]nicotinamides.

General DescriptionThe anti-tetanus activity of 2-amino-6-methylbenzothiazole, a muscle relactant, was studied.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]

Related reactions

26 records
New reaction record

Compound notes

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