4-Tert-butylphenyl methyl sulfide
1-tert-butyl-4-methylsulfanylbenzene
Also Known As: 4-tert-Butylphenyl methyl sulfide|1-tert-butyl-4-methylsulfanylbenzene|Benzene,1- -4-|Benzene, 1-(1,1-dimethylethyl)-4-(methylthio)-|p-t-butylphenyl methyl sulfide|4-(tert-butyl)benzyl mereaplan|1-tert-butyl-4-(methylthio)benzene|4-tert-Butylphenyl(methyl) sulfide|Methyl(4-tert-butylphenyl) sulfide|(4-(tert-butyl)phenyl)(methyl)sulfane|1-TERT-BUTYL-4-(METHYLSULFANYL)BENZENE|Benzene,1-(1,1-dimethylethyl)-4-|1-tert-butyl-4-methylsulfanyl-benzene|Benzene,1-(1,1-dimethylethyl)-4-(methylthio)|J1.023.968K|1-(1,1-dimethylethyl)-4-methylsulfanylbenzene|Benzene,1-(1,1-dimethylethyl)-4-(methylthio)-|103-026-1
| Molecular Formula | C11H16S |
|---|---|
| Molecular Weight | 180.09727 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.09727 |
| Monoisotopic Mass | 180.09727 |
| Heavy Atoms | 12 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 7252-86-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)SC |
| InChIKey | JNMLIYFMOVEXEV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Tert-butylphenyl methyl sulfide (CAS 7252-86-0), with molecular formula C11H16S and molecular weight 180.09727 g/mol. IUPAC: 1-tert-butyl-4-methylsulfanylbenzene.