6-(4-Chlorophenylsulfanyl)-hexanoic acid methyl ester
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Basic information
- Standard SMILES
COC(=O)CCCCCSc1ccc(Cl)cc1- InChIKey
BTCPEMCBDDNQMG-UHFFFAOYSA-N- Molecular formula
- C13H17ClO2S
- Average molar mass
- 272.79 g/mol
- Monoisotopic mass
- 272.0637786
Names & identifiers
- Preferred name
- 6-(4-Chlorophenylsulfanyl)-hexanoic acid methyl ester
- IUPAC
- methyl 6-(4-chlorophenyl)sulfanylhexanoate
Names & synonyms
SCHEMBL3195091BTCPEMCBDDNQMG-UHFFFAOYSA-N6(4-Chloro-phenylsulfanyl)-hexanoic acid methyl ester6-(4-chlorophenylsulfanyl)-hexanoic acid methyl ester
Database identifiers
- PubChem CID
- 11630439
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 215
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Related reactions
6 records
Compound notes
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