Basic information
- CAS
801998-66-3- Standard SMILES
Cc1cnc(SC(=O)c2ccccc2)[nH]1- InChIKey
YIRPFWKAYLKHSS-UHFFFAOYSA-N- Molecular formula
- C11H10N2OS
- Average molar mass
- 218.28 g/mol
Names & identifiers
- Preferred name
- S-(4-Methyl-1H-imidazol-2-yl) benzothioate
- IUPAC
- S-(5-methyl-1H-imidazol-2-yl) benzenecarbothioate
- English name
- Benzoic acid, thio-, S-(4-methylimidazol-2-yl) ester (8CI)
- Molecular formula
- C11H10N2OS
- Molecular weight
- 218.27
Names & synonyms
801998-66-3S-(4-Methyl-1H-imidazol-2-yl) benzothioateS-(5-methyl-1H-imidazol-2-yl) benzenecarbothioateBenzoic acid, thio-, S-(4-methylimidazol-2-yl) ester (8CI)Benzenecarbothioic acid, S-(5-methyl-1H-imidazol-2-yl) ester
Database identifiers
- CAS
801998-66-3
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 229
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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