4-Thiocyanatobutan-2-one
3-oxobutyl thiocyanate
Also Known As: 3-Oxobutyl thiocyanate|4-Thiocyanato-2-butanone|4-thiocyanatobutan-2-one|3-Oxobutyl thiocyanate #|Thiocyanic acid,3-oxobutyl ester|4-(CYANOSULFANYL)BUTAN-2-ONE|J2.449.831J|Thiocyanic acid, 3-oxobutyl ester (6CI,9CI)
CAS: 57308-66-4
| Molecular Formula | C5H7NOS |
|---|---|
| Molecular Weight | 129.02484 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 66.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 129.02484 |
| Monoisotopic Mass | 129.02484 |
| Heavy Atoms | 8 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 57308-66-4 |
|---|---|
| SMILES | CC(=O)CCSC#N |
| InChIKey | HZNSYFMLHIFKKR-UHFFFAOYSA-N |
Product Overview
4-Thiocyanatobutan-2-one (CAS 57308-66-4), with molecular formula C5H7NOS and molecular weight 129.02484 g/mol. IUPAC: 3-oxobutyl thiocyanate.
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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