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4-(4-Methylphenyl)-1,3-thiazol-2(3H)-imine

HCID 244066
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
2103-91-5
Standard SMILES
Cc1ccc(-c2csc(N)n2)cc1
InChIKey
ARLHWYFAPHJCJT-UHFFFAOYSA-N
Molecular formula
C10H10N2S
Average molar mass
190.27 g/mol
Monoisotopic mass
190.0564695

Names & identifiers

Preferred name
4-(4-Methylphenyl)-1,3-thiazol-2(3H)-imine
IUPAC
4-(4-methylphenyl)-1,3-thiazol-2-amine
English name
2-Amino-4-(p-tolyl)thiazole
Molecular formula
C10H10N2S
Molecular weight
190.27

Names & synonyms

DTXSID609433284-(4-methylphenyl)-1,3-thiazol-2(3H)-imineRefChem:1069977DTXCID2013716982103-91-54-(4-methylphenyl)-1,3-thiazol-2-amine4-(p-tolyl)thiazol-2-amine2-Amino-4-(p-tolyl)thiazole4-p-Tolyl-thiazol-2-ylamine2-thiazolamine, 4-(4-methylphenyl)-MFCD001702644-p-tolylthiazol-2-amine
Show more names
AURORA 5316AKOS BC-1557TOSLAB 14874AKOS B000327AKOS BBS-00000483BUTTPARK 41\03-45IFLAB-BB F0777-0809
4-(4-Methylphenyl)-2-thiazolamine4-p-Tolylthiazol-2-ylamine4-(4-methylphenyl)-1,3-thiazole-2-ylamineNSC54436NSC 544364-(p-Tolyl)-2-thiazolamineMLS0026676872-AMINO-4-(4-METHYLPHENYL)THIAZOLE

Database identifiers

CAS
2103-91-5
PubChem CID
244066
DTXSID
DTXSID60943328
ChEMBL
CHEMBL1716073
EC Number
626-896-9
Nikkaji
J580.611I

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
67.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
Formal charge
0
Complexity
166

Physicochemical properties

Melting point
132 · 132-136 °C (lit.)
Boiling point
369.4 · 369.4±11.0 °C(Predicted)
Density
1.219 · 1.219±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C, protect from light
pka
4.51 · 4.51±0.10(Predicted)
form
powder to crystal
color
Light orange to Yellow to Green
λmax
266 nm · 266nm(EtOH)(lit.)
BRN
143563 · 143563
InChI
1S/C10H10N2S/c1-7-2-4-8(5-3-7)9-6-13-10(11)12-9/h2-6H,1H3,(H2,11,12)
InChIKey
ARLHWYFAPHJCJT-UHFFFAOYSA-N
SMILES
Cc1ccc(cc1)-c2csc(N)n2
CAS DataBase Reference
2103 · 2103-91-5(CAS DataBase Reference)
UNSPSC Code
12352100 · 12352100
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302+H312+H332
Precautionary statements
261 · P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
PPE
95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes
Xn,Xi
Risk Statements
20 · 20/21/22
Safety Statements
26 · 26-36/37
RIDADR
2811 · 2811
WGK Germany
3 · 3
HS Code
2934.1 · 2934.10.2000
HazardClass
6.1 · 6.1
PackingGroup
III
Storage Class
11 · 11 - Combustible Solids
Hazard Classifications
4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral

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 · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal];H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%);Acute Tox. 4 (100%);Acute Tox. 4 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
ridadr
2811
hs_code
2934.10.2000
risk_code
20/21/22
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xn,Xi
safety_code
26-36/37
hazard_class
6.1
Storage Class
11 - Combustible Solids
packing_group
III
Hazard statements
H302+H312+H332
Hazard Classifications
Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
Precautionary statements
P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312

Chemistry & industry

Upstream & downstream products

Upstream raw materials

2-(4-methylphenyl)-2-oxoethyl 4-methylbenzenesulfonate(Z)-2-diazonio-1-(4-methylphenyl)ethenolate2-Chloro-1-p-tolyl-ethanoneBenzene, 1-(1-azidoethenyl)-4-methyl-2,2-Dibromo-1-p-tolylethanone2-Bromo-4'-methylacetophenone4'-Methylacetophenone4-EthynyltoluenePotassium thiocyanateCyanamideCarbamimidothioic acid

Downstream products

Benzamide, 4-methyl-N-[4-(4-methylphenyl)-2-thiazolyl]-

Suppliers69 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Shaanxi Cuikang Pharmaceutical Technology Co., Ltd+86-13119157289 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业(陕西)有限公司029-81310890 18165209495 · [email protected]
Suzhou Victorypharm Co.,Ltd.+86-13916956214 · [email protected]
西安美科生物科技有限公司029-18710438009 18710438009 · [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]
苏州维塔力生物医药有限公司512-68242903 13916956214 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [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400-6009262 15618770481 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
康姆芘法思(上海)生物科技有限公司021-65232103 17602124823 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
南京科晟祥科技有限公司18252089365 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海超岚化工科技中心(原上海巢莱)0-2022843681 15618226720 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
康姆芘法思(上海)生物科技有限公司021-65232103 17602124823 · [email protected]
嘉兴市德亿化工有限公司86-0573-85866609 18367600069 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386, 800-988-0390 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
上海普黎康化工科技有限公司021-54321516 17717324060 · [email protected]
Aladdin Scientific[email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]

Related reactions

14 records
New reaction record
HRID 482482 reaction equation
HRID 482482As reactantuspto-grants-1998_08
HRID 533984 reaction equation
HRID 533984As reactantuspto-grants-2014_10
HRID 955301 reaction equation
HRID 955301As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1009792 reaction equation
HRID 1009792As reactantuspto-grants-2011_07
HRID 1188136 reaction equation
HRID 1188136As reactantuspto-grants-2014_03
HRID 1397898 reaction equation
HRID 1397898As reactantuspto-grants-2014_12
HRID 1465594 reaction equation
HRID 1465594As productuspto-grants-2015_04
HRID 1480652 reaction equation
HRID 1480652As productuspto-grants-2016_08
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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes