Basic information
- CAS
1175743-65-3- Standard SMILES
Cc1cccc(-c2ccc(C(N)=S)cc2)c1- InChIKey
UZOBMNFEBCPBNL-UHFFFAOYSA-N- Molecular formula
- C14H13NS
- Average molar mass
- 227.33 g/mol
- Monoisotopic mass
- 227.07687059
Names & identifiers
- Preferred name
- 3'-Methyl[1,1'-biphenyl]-4-carbothioamide
- IUPAC
- 4-(3-methylphenyl)benzenecarbothioamide
Names & synonyms
3'-Methyl[1,1'-biphenyl]-4-carbothioamideSCHEMBL13680641DTXSID8012728401175743-65-33a(2)-Methyl[1,1a(2)-biphenyl]-4-carbothioamide
Database identifiers
- CAS
1175743-65-3- PubChem CID
- 39247166
- DTXSID
DTXSID801272840
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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