4-(2-Thioxo-1,3-benzothiazol-3(2H)-yl)-2-butanone
4-(2-sulfanylidene-1,3-benzothiazol-3-yl)butan-2-one
Also Known As: 4-(2-thioxo-benzothiazol-3-yl)-butan-2-one|NCI60_019929|4-(2-Thioxo-1,3-benzothiazol-3(2H)-yl)-2-butanone|4-(2-sulfanylidene-1,3-benzothiazol-3-yl)butan-2-one|4-(2-thioxo-1,3-benzothiazol-3-yl)butan-2-one
CAS: 27410-83-9
| Molecular Formula | C11H11NOS2 |
|---|---|
| Molecular Weight | 237.02821 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 77.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.02821 |
| Monoisotopic Mass | 237.02821 |
| Heavy Atoms | 15 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 27410-83-9 |
|---|---|
| SMILES | CC(=O)CCN1C2=CC=CC=C2SC1=S |
| InChIKey | NHEGPVDYHIPIKV-UHFFFAOYSA-N |
Product Overview
4-(2-Thioxo-1,3-benzothiazol-3(2H)-yl)-2-butanone (CAS 27410-83-9), with molecular formula C11H11NOS2 and molecular weight 237.02821 g/mol. IUPAC: 4-(2-sulfanylidene-1,3-benzothiazol-3-yl)butan-2-one.
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 →
4-(2-Thioxo-1,3-benzothiazol-3(2H)-yl)-2-butanone is a custom synthesis product. We offer services from milligram to kilogram scale.
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