Basic information
- Standard SMILES
CSCC1CCC(C(=O)O)CC1- InChIKey
BIDVFOQUQKOWLP-UHFFFAOYSA-N- Molecular formula
- C9H16O2S
- Average molar mass
- 188.29 g/mol
Names & identifiers
- Preferred name
- 4-[(Methylthio)methyl]cyclohexanecarboxylic acid
- IUPAC
- 4-(methylsulfanylmethyl)cyclohexane-1-carboxylic acid
Names & synonyms
SCHEMBL3347674BIDVFOQUQKOWLP-UHFFFAOYSA-N4-[(methylthio)methyl]cyclohexanecarboxylic acid
Database identifiers
- PubChem CID
- 21085950
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 151
Related reactions
3 records
Linked notes
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