3,5-Dimethyl-4-isoxazolyl isothiocyanate
4-isothiocyanato-3,5-dimethyl-1,2-oxazole
Also Known As: 3,5-DIMETHYL-4-ISOXAZOLYL ISOTHIOCYANATE|4-isothiocyanato-3,5-dimethyl-1,2-oxazole|3,5-dimethyl-4-isoxazolylisothiocyanate|4-Isothiocyanato-3,5-dimethyl-isoxazole|3,5-dimethylisoxazol-4-isothiocyanate|ART-CHEM-BB B020956|3,5-Dimethylisoxazol-4-yl isothiocyanate|(4-Amino-3-nitrophenyl)phenylmethanone|3,5-Dimethyl-4-isothiocyanatoisoxazole|4-isothiocyanato-3,5-dimethylisoxazole|3,5-dimethyl4-isoxazolyl isothiocyanate|3,5-Dimethylisoxazol-4-ylisothiocyanate|3,5-Dimethyl-4-isocyanato-1,2-oxazole|Isoxazole,4-isothiocyanato-3,5-dimethyl-|K-7510|Isoxazole, 4-isothiocyanato-3,5-dimethyl- (9CI)
| Molecular Formula | C6H6N2OS |
|---|---|
| Molecular Weight | 154.02008 g/mol |
| LogP | 2.02574 |
| Topological Polar Surface Area | 38.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.02008 |
| Monoisotopic Mass | 154.02008 |
| Heavy Atoms | 10 |
| Complexity | 266.43796 |
Chemical Identifiers
| CAS Number | 321309-27-7 |
|---|---|
| SMILES | CC1=C(C(=NO1)C)N=C=S |
Product Overview
3,5-Dimethyl-4-isoxazolyl isothiocyanate (CAS 321309-27-7), with molecular formula C6H6N2OS and molecular weight 154.02008 g/mol. IUPAC: 4-isothiocyanato-3,5-dimethyl-1,2-oxazole.
3,5-Dimethyl-4-isoxazolyl isothiocyanate is a custom synthesis product. We offer services from milligram to kilogram scale.
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