Basic information
- Standard SMILES
COC(=O)CCSCc1cccc(C(=O)Cl)c1- InChIKey
RAMALMYLSGOEPI-UHFFFAOYSA-N- Molecular formula
- C12H13ClO3S
- Average molar mass
- 272.75 g/mol
Names & identifiers
- Preferred name
- Methyl 3-(3-(chlorocarbonyl)benzylthio)propanoate
- IUPAC
- methyl 3-[(3-carbonochloridoylphenyl)methylsulfanyl]propanoate
Names & synonyms
SCHEMBL39871RAMALMYLSGOEPI-UHFFFAOYSA-Nmethyl 3-(3-(chlorocarbonyl)benzylthio)propanoate
Database identifiers
- PubChem CID
- 86705202
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 270
Related reactions
16 records
Compound notes
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