Basic information
- CAS
25712-17-8- Standard SMILES
Nc1ccc(Sc2nc3ccccc3s2)cc1- InChIKey
PZVWKCGKIADPAU-UHFFFAOYSA-N- Molecular formula
- C13H10N2S2
- Average molar mass
- 258.4 g/mol
- Monoisotopic mass
- 258.02854032
Names & identifiers
- Preferred name
- 4-(2-Benzothiazol-2-ylthio)aniline
- IUPAC
- 4-(1,3-benzothiazol-2-ylsulfanyl)aniline
- English name
- 4-(2-benzothiazol-2-ylthio)aniline
- Molecular formula
- C13H10N2S2
- Molecular weight
- 258.36
Names & synonyms
4-(2-Benzothiazol-2-ylthio)aniline4-(2-Benzothiazolylthio)benzenamineEINECS 247-204-8RefChem:512222247-204-825712-17-84-(Benzo[d]Thiazol-2-ylthio)aniline4-(1,3-benzothiazol-2-ylsulfanyl)aniline4-(Benzothiazol-2-ylsulfanyl)phenylamine4-(benzothiazol-2-yl-sulfanyl)phenylamine2-(4-Aminophenylthio)benzothiazoleChemDiv2_003385
Show more names
Benzenamine, 4-(2-benzothiazolylthio)-
SCHEMBL8563621CHEMBL53077554-(2-Benzothiazolylthio)anilineDTXSID20948591HMS1378J192-[(4-Aminophenyl)thio]benzothiazoleAKOS000215387CCG-103338
Database identifiers
- CAS
25712-17-8- PubChem CID
- 117610
- DTXSID
DTXSID20948591- ChEMBL
CHEMBL5307755- EC Number
- 247-204-8
- Nikkaji
- J287.306K
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 92.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Melting point
- 121 · 121-123°
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 332 · H332-H302-H312-H319-H315-H335
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H332-H302-H312-H319-H315-H335
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers3 total
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
6 records
Compound notes
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