2-Propan-2-yl-18-sulfanyloctadecanoic acid
Basic information
- CAS
113184-21-7- Standard SMILES
CC(C)C(CCCCCCCCCCCCCCCCS)C(=O)O- InChIKey
MSUPTJYVVNYKCF-UHFFFAOYSA-N- Molecular formula
- C21H42O2S
- Average molar mass
- 358.6 g/mol
- Monoisotopic mass
- 358.29055175
Names & identifiers
- Preferred name
- 2-Propan-2-yl-18-sulfanyloctadecanoic acid
- IUPAC
- 2-propan-2-yl-18-sulfanyloctadecanoic acid
Database identifiers
- CAS
113184-21-7- PubChem CID
- 86135
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 18
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 279
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Compound notes
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