1,1-Dioxothiolan-3-yl isothiocyanatooate
(1,1-dioxothiolan-3-yl) N-(sulfanylidenemethylidene)carbamate
Also Known As: 1,1-dioxothiolan-3-yl isothiocyanatooate|1,1-dioxidotetrahydro-3-thienyl isothiocyanatidocarbonate|(1,1-dioxothiolan-3-yl) N-(sulfanylidenemethylidene)carbamate
CAS: 874468-23-2
| Molecular Formula | C6H7NO4S2 |
|---|---|
| Molecular Weight | 220.98164 g/mol |
| LogP | 0.4129 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.98164 |
| Monoisotopic Mass | 220.98164 |
| Heavy Atoms | 13 |
| Complexity | 354.83054 |
Chemical Identifiers
| CAS Number | 874468-23-2 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1OC(=O)N=C=S |
Product Overview
1,1-Dioxothiolan-3-yl isothiocyanatooate (CAS 874468-23-2), with molecular formula C6H7NO4S2 and molecular weight 220.98164 g/mol. IUPAC: (1,1-dioxothiolan-3-yl) N-(sulfanylidenemethylidene)carbamate.
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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1,1-Dioxothiolan-3-yl isothiocyanatooate is a custom synthesis product. We offer services from milligram to kilogram scale.
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