Benzenebutanoic acid, gamma-((4-chlorophenyl)thio)-2,4,6-trimethyl-
Basic information
- CAS
37014-91-8- Standard SMILES
Cc1cc(C)c(C(CCC(=O)O)Sc2ccc(Cl)cc2)c(C)c1- InChIKey
JHSLCIONTGOLNH-UHFFFAOYSA-N- Molecular formula
- C19H21ClO2S
- Average molar mass
- 348.9 g/mol
- Monoisotopic mass
- 348.0950788
Names & identifiers
- Preferred name
- Benzenebutanoic acid, gamma-((4-chlorophenyl)thio)-2,4,6-trimethyl-
- IUPAC
- 4-(4-chlorophenyl)sulfanyl-4-(2,4,6-trimethylphenyl)butanoic acid
Names & synonyms
BRN 27722324-(4-Chlorophenylthio)-4-(2,4,6-trimethylphenyl)butyric acid37014-91-8gamma-((4-Chlorophenyl)thio)-2,4,6-trimethylbenzenebutanoic acidBenzenebutanoic acid, gamma-((4-chlorophenyl)thio)-2,4,6-trimethyl-RefChem:3244144-[(4-chlorophenyl)sulfanyl]-4-(2,4,6-trimethylphenyl)butanoic acidDTXSID40958192
Database identifiers
- CAS
37014-91-8- PubChem CID
- 216039
- DTXSID
DTXSID40958192
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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