4-[(4-Methoxybenzene-1-carbothioyl)sulfanyl]butanoic acid
Basic information
- CAS
36122-42-6- Standard SMILES
COc1ccc(C(=S)SCCCC(=O)O)cc1- InChIKey
FPMHDMDPXVQSSH-UHFFFAOYSA-N- Molecular formula
- C12H14O3S2
- Average molar mass
- 270.4 g/mol
- Monoisotopic mass
- 270.03843665
Names & identifiers
- Preferred name
- 4-[(4-Methoxybenzene-1-carbothioyl)sulfanyl]butanoic acid
- IUPAC
- 4-(4-methoxybenzenecarbothioyl)sulfanylbutanoic acid
Names & synonyms
36122-42-6NSC2955814-[(4-Methoxybenzene-1-carbothioyl)sulfanyl]butanoic acidDTXSID90315615NSC-295581
Database identifiers
- CAS
36122-42-6- PubChem CID
- 325964
- DTXSID
DTXSID90315615
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 260
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Compound notes
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