Basic information
- CAS
17413-74-0- Standard SMILES
CC(C)(Sc1ccc(Cl)cc1)C(=O)O- InChIKey
GUOJPBXXOMDAGO-UHFFFAOYSA-N- Molecular formula
- C10H11ClO2S
- Average molar mass
- 230.71 g/mol
- Monoisotopic mass
- 230.0168285
Names & identifiers
- Preferred name
- 2-((4-Chlorophenyl)thio)-2-methylpropanoic acid
- IUPAC
- 2-(4-chlorophenyl)sulfanyl-2-methylpropanoic acid
- English name
- 2-[(4-Chlorophenyl)thio]-2-methylpropionic acid
- Molecular weight
- 0
Names & synonyms
17413-74-0ISOBUTYRIC ACID, alpha-(p-CHLOROPHENYLTHIO)-DTXSID60169768RefChem:10605312-((4-chlorophenyl)thio)-2-methylpropanoic acidDTXCID4092259alpha-(p-Chlorophenylthio)isobutyric acid2-(4-chlorophenyl)sulfanyl-2-methylpropanoic acidBRN 1874068Acetic acid, (p-chlorophenylthio)dimethyl-2-[(4-Chlorophenyl)thio]-2-methylpropionic acid4-06-00-01604 (Beilstein Handbook Reference)
Show more names
2-[(4-chlorophenyl)sulfanyl]-2-methylpropanoic acidSCHEMBL4398676p-chlorophenylmercaptoisobutyric acidAKOS010599562
Database identifiers
- CAS
17413-74-0- PubChem CID
- 28530
- DTXSID
DTXSID60169768- Nikkaji
- J41.082I
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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