2,5-Dimethylphenyl isothiocyanate
2-isothiocyanato-1,4-dimethylbenzene
Also Known As: 2,5-Dimethylphenyl isothiocyanate|2-Isothiocyanato-1,4-dimethylbenzene|2,5-DIMETHYLPHENylisoTHIOCYANATE|2,5-xylyl isothiocyanate|Benzene, 2-isothiocyanato-1,4-dimethyl-|2,5-dimethylbenzenisothiocyanate|2,5-dimethylphenyl-isothiocyanate|Benzene,2-isothiocyanato-1,4-dimethyl-|2-isothiocyanato-1,4-dimethyl-benzene|6481AD|2-Isothiocyanato-1,4-dimethylbenzene #|4-chloro-6-ethylthieno[2,3-d]pyrimidine|Y-9870|2-FLUORO-4-(TRIFLUOROMETHYL)BENZYL ALCOHOL|I09-2565|F0001-2332
| 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 | 197239-49-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N=C=S |
| InChIKey | RCBXZRJVMSWGAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Dimethylphenyl isothiocyanate (CAS 197239-49-9), with molecular formula C9H9NS and molecular weight 163.04558 g/mol. IUPAC: 2-isothiocyanato-1,4-dimethylbenzene.
2,5-Dimethylphenyl isothiocyanate is a custom synthesis product. We offer services from milligram to kilogram scale.
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