Benzamide, N-(cyano(methylthio)methyl)-
Basic information
- CAS
13243-42-0- Standard SMILES
CSC(C#N)NC(=O)c1ccccc1- InChIKey
PIWOOBRDXRKMQO-UHFFFAOYSA-N- Molecular formula
- C10H10N2OS
- Average molar mass
- 206.27 g/mol
- Monoisotopic mass
- 206.05138412
Names & identifiers
- Preferred name
- Benzamide, N-(cyano(methylthio)methyl)-
- IUPAC
- N-[cyano(methylsulfanyl)methyl]benzamide
Names & synonyms
alpha-MethylmercaptohippuronitrileBRN 2617353N-(Cyano(methylthio)methyl)benzamide13243-42-0BENZAMIDE, N-(CYANO(METHYLTHIO)METHYL)-RefChem:322438DTXSID70927679N-[Cyano(methylsulfanyl)methyl]benzenecarboximidic acid
Database identifiers
- CAS
13243-42-0- PubChem CID
- 25800
- DTXSID
DTXSID70927679- Nikkaji
- J54.915K
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 78.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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