2-Isocyanato-4-isothiocyanato-1-methylbenzene
2-isocyanato-4-isothiocyanato-1-methylbenzene
Also Known As: toluene-2-isocyanate-4-isothiocyanate|2-isocyanato-4-isothiocyanato-1-methylbenzene
CAS: 91037-86-4
| Molecular Formula | C9H6N2OS |
|---|---|
| Molecular Weight | 190.02008 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 73.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.02008 |
| Monoisotopic Mass | 190.02008 |
| Heavy Atoms | 13 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 91037-86-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N=C=S)N=C=O |
| InChIKey | HKWBUHMGDKKEGW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Agrochemicals (3 patents)
Analytical Reagents (18 patents)
Biotechnology (71 patents)
Catalysts (2 patents)
Electronic Chemicals (1 patents)
Heterocyclic Building Blocks (5 patents)
Organic Building Blocks (31 patents)
Peptides & Amino Acids (35 patents)
Pharmaceutical Intermediates (50 patents)
Plastic Additives (2 patents)
Polymer Intermediates (106 patents)
Specialty Chemicals (3 patents)
Product Overview
2-Isocyanato-4-isothiocyanato-1-methylbenzene (CAS 91037-86-4), with molecular formula C9H6N2OS and molecular weight 190.02008 g/mol. IUPAC: 2-isocyanato-4-isothiocyanato-1-methylbenzene.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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