Basic information
- Standard SMILES
Nc1ccc(-c2nc3ccccc3s2)cc1Cl- InChIKey
VMHNOJKXMWYAGM-UHFFFAOYSA-N- Molecular formula
- C13H9ClN2S
- Average molar mass
- 260.74 g/mol
Names & identifiers
- Preferred name
- 4-(2-Benzothiazolyl)-2-chloro-benzenamine
- IUPAC
- 4-(1,3-benzothiazol-2-yl)-2-chloroaniline
Names & synonyms
4-(2-Benzothiazolyl)-2-chloro-benzenamine178804-10-94-(1,3-benzothiazol-2-yl)-2-chloroaniline4-(Benzo[d]thiazol-2-yl)-2-chloroanilineMFCD00950807NSC682303NSC-6823032-(4'-amino-3'-chlorophenyl)benzothiazoleCHEMBL12231SCHEMBL6284593VMHNOJKXMWYAGM-UHFFFAOYSA-NAKOS005133979
Show more names
2-(4-amino-3-chlorophenyl)benzothiazole4-benzothiazol-2-yl-2-chlorophenylamineNCI60_029438[4-(benzothiazolyl)-2-chloro-phenyl]-amine2-(4'-amino-3'-chlorophenyl) benzothiazoleCS-03367724-(1,3-benzothiazol-2-yl)-2-chloro-anilineBenzenamine, 2-chloro-4-(benzothiazol-2-yl)-
Database identifiers
- PubChem CID
- 387950
- ChEMBL
CHEMBL12231- Nikkaji
- J748.055E
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 276
Related reactions
3 records
Compound notes
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