Basic information
- Standard SMILES
CSc1cccc(C(N)=O)c1- InChIKey
YNHFIENJBOHLAF-UHFFFAOYSA-N- Molecular formula
- C8H9NOS
- Average molar mass
- 167.23 g/mol
Names & identifiers
- Preferred name
- 3-Methylsulfanylbenzamide
- IUPAC
- 3-methylsulfanylbenzamide
Names & synonyms
3-MethylsulfanylbenzamideCHEMBL443472SCHEMBL1397499SCHEMBL21268224YNHFIENJBOHLAF-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 44581297
- ChEMBL
CHEMBL443472
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 149
Related reactions
3 records
Compound notes
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