2-((4-Tert-butylphenyl)sulfanyl)acetic acid
2-(4-tert-butylphenyl)sulfanylacetic acid
Also Known As: 2-[(4-tert-butylphenyl)sulfanyl]acetic acid|[(4-tert-butylphenyl)thio]acetic acid|ACMC-209jv1|NCIOpen2_004059|2-(4-tert-butylphenyl)sulfanylacetic acid|2-((4-(tert-Butyl)phenyl)thio)acetic acid|KST-1A4869|2-(4-t-butylphenylthio)acetic acid|(4-TERT-BUTYLPHENYL)THIO]ACETIC ACID|(4-tert-butyl-phenylsulfanyl)-acetic acid|Acetic acid,2-[[4-(1,1-dimethylethyl)phenyl]thio]-|2-((4-(tert-Butyl)phenyl)thio)aceticacid|acetic acid, 2-(4-tert-butylphenyl)thio-|(4-TERT-BUTYLPHENYL)THIO]ACETICACID|2-((4-Tert-butylphenyl)sulfanyl)acetic acid|2-[[4-(tert-Butyl)phenyl]thio]acetic Acid|6-Phenyl-3-thio-1,2,4-triazin-5(2H)-one|Acetic acid, [[4-(1,1-dimethylethyl)phenyl]thio]-|K-8914|[4-(1,1-dimethylethyl)-phenylsulfanyl]-acetic acid|999-525-4
| Molecular Formula | C12H16O2S |
|---|---|
| Molecular Weight | 224.0871 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.0871 |
| Monoisotopic Mass | 224.0871 |
| Heavy Atoms | 15 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 447-00-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)SCC(=O)O |
| InChIKey | RVMFURNUVGUONB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-((4-Tert-butylphenyl)sulfanyl)acetic acid (CAS 447-00-7), with molecular formula C12H16O2S and molecular weight 224.0871 g/mol. IUPAC: 2-(4-tert-butylphenyl)sulfanylacetic acid.