Basic information
- CAS
72462-85-2- Standard SMILES
CCC(Sc1c(C)c(C)cc(C)c1C)C(=O)O- InChIKey
JHSOOUIQAKJGQP-UHFFFAOYSA-N- Molecular formula
- C14H20O2S
- Average molar mass
- 252.37 g/mol
- Monoisotopic mass
- 252.11840105
Names & identifiers
- Preferred name
- Butyric acid, 2-((2,3,5,6-tetramethylphenyl)thio)-
- IUPAC
- 2-(2,3,5,6-tetramethylphenyl)sulfanylbutanoic acid
Names & synonyms
BRN 24622852-((2,3,5,6-Tetramethylphenyl)thio)butyric acid72462-85-2BUTYRIC ACID, 2-((2,3,5,6-TETRAMETHYLPHENYL)THIO)-RefChem:3312232-[(2,3,5,6-Tetramethylphenyl)sulfanyl]butanoic acidDTXSID70993273
Database identifiers
- CAS
72462-85-2- PubChem CID
- 51587
- DTXSID
DTXSID70993273- Nikkaji
- J67.411G
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 253
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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