2-Phenyl-benzothiazol-6-ylamine

HCID 459117

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Basic information

CAS: 6392-97-8
Standard SMILES: Nc1ccc2nc(-c3ccccc3)sc2c1
InChIKey: KRLJYUSJAVJLTM-UHFFFAOYSA-N
Molecular formula: C13H10N2S
Average molar mass: 226.3 g/mol
Monoisotopic mass: 226.05646932

Names & identifiers

Preferred name: 2-Phenyl-benzothiazol-6-ylamine
IUPAC: 2-phenyl-1,3-benzothiazol-6-amine
English name: 2-Phenyl-benzothiazol-6-ylamine
Molecular formula: C13H10N2S
Molecular weight: 226.3

Names & synonyms

6392-97-82-Phenyl-benzothiazol-6-ylamineDTXSID50332606RefChem:265317DTXCID002836992-Phenylbenzo[d]thiazol-6-amine2-phenyl-1,3-benzothiazol-6-amineMFCD000943656-Amino-2-phenylbenzothiazole2-phenylbenzothiazol-6-ylamineMLS000523679SMR000122752

Show more names

2-phenyl-6-aminobenzothiazolecid_459117SCHEMBL31942666-Benzothiazolamine, 2-phenyl-CHEMBL1326967BDBM48213KRLJYUSJAVJLTM-UHFFFAOYSA-NHMS2387G13

Database identifiers

CAS: 6392-97-8
PubChem CID: 459117
DTXSID: DTXSID50332606
ChEMBL: CHEMBL1326967
EC Number: 673-330-1

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 67.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 240

Physicochemical properties

Melting point: 206 · 206-207 °C
Boiling point: 430.9 · 430.9±37.0 °C(Predicted)
Density: 1.301 · 1.301±0.06 g/cm3(Predicted)
pka: 2 · 2+-.0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 332 · H332-H312-H302-H335-H319-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312

Safety & regulation

GHS classification

GHS Classification · 4 items

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-H312-H302-H335-H319-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312