4-Butoxyphenylisothiocyanate
1-butoxy-4-isothiocyanatobenzene
Also Known As: 4-Butoxyphenylisothiocyanate|1-butoxy-4-isothiocyanatobenzene|1-butoxy-4-isothiocyanato-benzene|p-butoxyphenyl isothiocyanate|4-N-Butoxyphenyl Isocyanate|4-butoxy-phenyl isothiocyanate|Benzene, 1-butoxy-4-isothiocyanato-|FS-5986
CAS: 3460-50-2
| Molecular Formula | C11H13NOS |
|---|---|
| Molecular Weight | 207.0718 g/mol |
| LogP | 3.5998 |
| Topological Polar Surface Area | 21.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.0718 |
| Monoisotopic Mass | 207.0718 |
| Heavy Atoms | 14 |
| Complexity | 314.56433 |
Chemical Identifiers
| CAS Number | 3460-50-2 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)N=C=S |
Product Overview
4-Butoxyphenylisothiocyanate (CAS 3460-50-2), with molecular formula C11H13NOS and molecular weight 207.0718 g/mol. IUPAC: 1-butoxy-4-isothiocyanatobenzene.
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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