4-n-Butyl-2-methylphenyl isothiocyanate
4-butyl-1-isothiocyanato-2-methylbenzene
Also Known As: 4-n-Butyl-2-methylphenyl isothiocyanate|4-butyl-1-isothiocyanato-2-methylbenzene|p-n-Butyl-o-tolyl isothiocyanate|4-butyl-2-methylbenzenisothiocyanate|4-n-butyl-2-methylphenylisothiocyanate|?4-N-BUTYL-2-METHYLPHENYL ISOTHIOCYANATE|Benzene, 4-butyl-1-isothiocyanato-2-methyl- (9CI)
CAS: 175205-37-5
| Molecular Formula | C12H15NS |
|---|---|
| Molecular Weight | 205.09251 g/mol |
| LogP | 4.07192 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 205.09251 |
| Monoisotopic Mass | 205.09251 |
| Heavy Atoms | 14 |
| Complexity | 351.33942 |
Chemical Identifiers
| CAS Number | 175205-37-5 |
|---|---|
| SMILES | CCCCC1=CC(=C(C=C1)N=C=S)C |
Product Overview
4-n-Butyl-2-methylphenyl isothiocyanate (CAS 175205-37-5), with molecular formula C12H15NS and molecular weight 205.09251 g/mol. IUPAC: 4-butyl-1-isothiocyanato-2-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.
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