Basic information
- CAS
75024-39-4- Standard SMILES
CC(C)(Sc1ccc(C(C)(C)C)cc1)C(=O)O- InChIKey
YMUAERMTSSEJPG-UHFFFAOYSA-N- Molecular formula
- C14H20O2S
- Average molar mass
- 252.37 g/mol
- Monoisotopic mass
- 252.11840105
Names & identifiers
- Preferred name
- Propionic acid, 2-((p-tert-butylphenyl)thio)-2-methyl-
- IUPAC
- 2-(4-tert-butylphenyl)sulfanyl-2-methylpropanoic acid
Names & synonyms
Sch 1604Propionic acid, 2-((p-tert-butylphenyl)thio)-2-methyl-BRN 25602032-((p-tert-Butylphenyl)thio)-2-methyl-propionic acidAcido p-tert-butilfenil-alpha-tioisobutirrico [Italian]75024-39-4Acido p-tert-butilfenil-alpha-tioisobutirricoDTXSID20226003RefChem:375098DTXCID801484942-[(4-tert-butylphenyl)sulfanyl]-2-methylpropanoic acid
Database identifiers
- CAS
75024-39-4- PubChem CID
- 3058331
- DTXSID
DTXSID20226003- Nikkaji
- J92.641H
Properties
Computed structural properties
- XLogP
- 4.3
- 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
- 270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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