4-Isopropylphenyl isothiocyanate
1-isothiocyanato-4-propan-2-ylbenzene
Also Known As: 4-Isopropylphenyl isothiocyanate|1-Isopropyl-4-isothiocyanatobenzene|4-Isopropylphenylisothiocyanate|ACMC-20amft|1-isothiocyanato-4-propan-2-ylbenzene|4-iso-propylphenyl isothiocyanate|4isopropylphenylisothiocyanate|1-isothiocyanato-4-(propan-2-yl)benzene|1-isopropyl-4-isothiocyanato-benzene|4-(methylethyl)benzenisothiocyanate|2161AF|1-Isopropyl-4-isothiocyanatobenzene #|FS-4151|1-isothiocyanato-4-propan-2-yl-benzene|Benzene, 1-isothiocyanato-4-(1-methylethyl)-|Benzene,1-isothiocyanato-4-(1-methylethyl)-|2-BIPHENYL-3,4-DIFLUORO-CARBOXYLICACID|Y-8885|4-Isopropylphenyl isothiocyanate, 96% - 1G 1g|I09-2390|665-975-2
| Molecular Formula | C10H11NS |
|---|---|
| Molecular Weight | 177.06122 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 177.06122 |
| Monoisotopic Mass | 177.06122 |
| Heavy Atoms | 12 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 89007-45-4 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)N=C=S |
| InChIKey | SNWJJTIJIDXIHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Isopropylphenyl isothiocyanate (CAS 89007-45-4), with molecular formula C10H11NS and molecular weight 177.06122 g/mol. IUPAC: 1-isothiocyanato-4-propan-2-ylbenzene.