6-Benzothiazolecarbonitrile, 2-acetyl-
Basic information
- CAS
65840-57-5- Standard SMILES
CC(=O)c1nc2ccc(C#N)cc2s1- InChIKey
HOFSFPNHLKFJNQ-UHFFFAOYSA-N- Molecular formula
- C10H6N2OS
- Average molar mass
- 202.23 g/mol
Names & identifiers
- Preferred name
- 6-Benzothiazolecarbonitrile, 2-acetyl-
- IUPAC
- 2-acetyl-1,3-benzothiazole-6-carbonitrile
- English name
- 6-Benzothiazolecarbonitrile,2-acetyl-(9CI)
- Molecular formula
- C10H6N2OS
- Molecular weight
- 202.23244
Names & synonyms
65840-57-56-Benzothiazolecarbonitrile,2-acetyl-(9CI)6-Benzothiazolecarbonitrile, 2-acetyl-DB-2842382-Acetylbenzo[d]thiazole-6-carbonitrile6-?Benzothiazolecarboni?trile,2-?acetyl-
Database identifiers
- CAS
65840-57-5
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 296
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Compound notes
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