Basic information
- CAS
43087-91-8- Standard SMILES
Nc1ccc2sc(-c3ccccc3)nc2c1- InChIKey
GPBQVPZBUKXEJQ-UHFFFAOYSA-N- Molecular formula
- C13H10N2S
- Average molar mass
- 226.3 g/mol
- Monoisotopic mass
- 226.0564695
Names & identifiers
- Preferred name
- Benzothiazole, 5-amino-2-phenyl-
- IUPAC
- 2-phenyl-1,3-benzothiazol-5-amine
- English name
- 2-Phenyl-5-benzothiazolamine
- Molecular formula
- C13H10N2S
- Molecular weight
- 226.3
Names & synonyms
43087-91-8BENZOTHIAZOLE, 5-AMINO-2-PHENYL-5-Amino-2-phenylbenothiazole2-Fenyl-5-aminobenzthiazol5-Amino-2-fenylbenzthiazol2-Fenyl-5-aminobenzthiazol [Czech]5-Amino-2-fenylbenzthiazol [Czech]BRN 0164478DTXSID001956824-27-00-05043 (Beilstein Handbook Reference)RefChem:328218DTXCID40118173
Show more names
2-Phenyl-5-benzothiazolamine5-Benzothiazolamine, 2-phenyl-
2-phenyl-1,3-benzothiazol-5-amineFABT [Czech]5-amino-2-phenylbenzothiazoleFABTSCHEMBL2245118DB-349840
Database identifiers
- CAS
43087-91-8- PubChem CID
- 39382
- DTXSID
DTXSID00195682- Nikkaji
- J65.532E
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Density
- 1.1861 · 1.1861 (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 2940 mg/kg 28ZPAK -,203,72
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 orl-rat: 2940 mg/kg 28ZPAK -,203,72
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…