2,3-Dimethylphenylisothiocyanate
1-isothiocyanato-2,3-dimethylbenzene
Also Known As: 2,3-Dimethylphenyl Isothiocyanate|2,3-Dimethylphenylisothiocyanate|1-Isothiocyanato-2,3-dimethylbenzene|Benzene,1-isothiocyanato-2,3-dimethyl-|2,3-Xylyl isothiocyanate|dimethylphenyl isothio cyanate|2,3-dimethylbenzenisothiocyanate|2,3-dimethylphenyl-isothiocyanate|1-isothiocyanato-2,3-dimethyl-benzene|2,3-dimethyl-phenyl isothiocyanate|AKOS BBS-00004435|1-Isothiocyanato-2,3-dimethylbenzene #|2-Fluoro-4-(trifluoromethyl)benzyl bromide|Y-9728|I09-2573|F1915-0006
| 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 | 239087-07-1 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N=C=S)C |
| InChIKey | VASTZUGVKHOFPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Dimethylphenylisothiocyanate (CAS 239087-07-1), with molecular formula C9H9NS and molecular weight 163.04558 g/mol. IUPAC: 1-isothiocyanato-2,3-dimethylbenzene.
2,3-Dimethylphenylisothiocyanate is a custom synthesis product. We offer services from milligram to kilogram scale.
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