Basic information
- CAS
25706-29-0- Standard SMILES
CSc1nc2ccc(N)cc2s1- InChIKey
GYCJZSAIEMSFAV-UHFFFAOYSA-N- Molecular formula
- C8H8N2S2
- Average molar mass
- 196.3 g/mol
- Monoisotopic mass
- 196.01289061
Overview
2-(Methylthio)-1,3-benzothiazol-6-amine is a member of benzothiazoles.
Names & identifiers
- Preferred name
- 2-(Methylsulfanyl)-1,3-benzothiazol-6-amine
- IUPAC
- 2-methylsulfanyl-1,3-benzothiazol-6-amine
- English name
- 2-(Methylthio)-1,3-benzothiazol-6-amine
- Molecular formula
- C8H8N2S2
- Molecular weight
- 196.29
Names & synonyms
2-(methylsulfanyl)-1,3-benzothiazol-6-amineRefChem:461353636-763-725706-29-02-(methylthio)-1,3-benzothiazol-6-amine2-(methylthio)benzo[d]thiazol-6-amine2-Methylsulfanyl-benzothiazol-6-ylamine2-methylsulfanyl-1,3-benzothiazol-6-amineMFCD00086478CHEMBL52202386-Amino-2-(methylthio)benzothiazole2-methylthiobenzothiazole-6-ylamine
Show more names
Compound Fr12840BUTTPARK 94\04-98TIMTEC-BB SBB0101396-Benzothiazolamine, 2-(methylthio)-(METHYLTHIO)-1,3-BENZOTHIAZOL-6-AMINE6-amino-2-methylthiobenzo[4,5-d]thiazole6-Amino-2-(methylthio)-1,3-benzothiazole
NSC119961Enamine_005325SCHEMBL304698orb3170000DTXSID10297989CHEBI:194909GYCJZSAIEMSFAV-UHFFFAOYSA-NHMS1409C01
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 92.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Melting point
- 105 °C · 105 °C
- Boiling point
- 185 · 185-187 °C(Press: 2-3 Torr)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light, stored under nitrogen
- pka
- 3.07 · 3.07±0.10(Predicted)
- Appearance
- Light yellow to green yellow Solid
- CAS DataBase Reference
- 25706 · 25706-29-0(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H317-H335-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H317-H335-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers13 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
嘉兴诺华化工有限公司18957373295
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
1 records
Compound notes
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