Basic information
- Standard SMILES
COC(=S)c1cc(Nc2ccc(C3CCCCC3)cc2)c(C)s1- InChIKey
OFXCTHNFDWSEMP-UHFFFAOYSA-N- Molecular formula
- C19H23NOS2
- Average molar mass
- 345.5 g/mol
Names & identifiers
- Preferred name
- Methyl 4-[(4-cyclohexylphenyl)amino]-5-methylthiothiophene-2-carboxylate
- IUPAC
- O-methyl 4-(4-cyclohexylanilino)-5-methylthiophene-2-carbothioate
Names & synonyms
SCHEMBL6925670OFXCTHNFDWSEMP-UHFFFAOYSA-NMethyl 4-[(4-cyclohexylphenyl)amino]-5-methylthiothiophene-2-carboxylate
Database identifiers
- PubChem CID
- 86758686
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 389
Related reactions
2 records
Compound notes
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