1-Isothiocyanato-2,4-dimethylbenzene
1-isothiocyanato-2,4-dimethylbenzene
Also Known As: 2,4-Dimethylphenyl isothiocyanate|Xylyl isothiocyanate|1-Isothiocyanato-2,4-dimethylbenzene|2,4-Dimethylphenylisothiocyanate|2,4-xylyl isothiocyanate|starbld0044478|4-Isothiocyanato-m-xylene|ACMC-1AGR7|2,4-dimethylbenzenisothiocyanate|2,4-Dimethylisothiocyanatobenzene|2,4-dimethylphenyl-isothiocyanate|2,4-dimethyl-phenyl isothiocyanate|Isothiocyanic Acid 2,4-Xylyl Ester|2495AE|2,4-Dimethyl-1-isothiocyanatobenzene|1-isothiocyanato-2,4-dimethyl benzene|1-isothiocyanato-2,4-dimethyl-benzene|1-Isothiocyanato-2,4-dimethylbenzene #|Benzene,1-isothiocyanato-2,4-dimethyl-
| Molecular Formula | C9H9NS |
|---|---|
| Molecular Weight | 163.04558 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 163.04558 |
| Monoisotopic Mass | 163.04558 |
| Heavy Atoms | 11 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 71685-97-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N=C=S)C |
| InChIKey | HOHSBFCSOARUBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Isothiocyanato-2,4-dimethylbenzene (CAS 71685-97-7), with molecular formula C9H9NS and molecular weight 163.04558 g/mol. IUPAC: 1-isothiocyanato-2,4-dimethylbenzene.
1-Isothiocyanato-2,4-dimethylbenzene is a custom synthesis product. We offer services from milligram to kilogram scale.
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