Benzenecarbothioamide, N-(2-methylphenyl)-
Basic information
- CAS
26060-28-6- Standard SMILES
Cc1ccccc1NC(=S)c1ccccc1- InChIKey
OFKDEVSZZSYYPD-UHFFFAOYSA-N- Molecular formula
- C14H13NS
- Average molar mass
- 227.33 g/mol
- Monoisotopic mass
- 227.07687059
Names & identifiers
- Preferred name
- Benzenecarbothioamide, N-(2-methylphenyl)-
- IUPAC
- N-(2-methylphenyl)benzenecarbothioamide
Names & synonyms
26060-28-6Benzenecarbothioamide, N-(2-methylphenyl)-DTXSID40355602RefChem:324436DTXCID70306662N-(o-Tolyl)benzothioamideN-(2-methylphenyl)benzenecarbothioamideSCHEMBL15468323AKOS000507818SB80134ST50257322[(2-methylphenyl)amino]phenylmethane-1-thione
Database identifiers
- CAS
26060-28-6- PubChem CID
- 808699
- DTXSID
DTXSID40355602- Nikkaji
- J1.855.849A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 233
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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