RefChem:1074117
methyl (1E)-N-[[2-hydroxyethyl(propoxycarbonyl)amino]sulfanyl-methylcarbamoyl]oxyethanimidothioate
Also Known As: 2-Ethyl-4,8-dimethyl-5-oxo-6-oxa-3,9-dithia-2,4,7-triazadec-7-enoic acid propyl ester 3-oxide|6-Oxa-3,9-dithia-2,4,7-triazadec-7-enoic acid, 2-ethyl-4,8-dimethyl-5-oxo-, propyl ester, 3-oxide
CAS: 77248-40-9
| Molecular Formula | C11H21N3O5S2 |
|---|---|
| Molecular Weight | 339.09225 g/mol |
| LogP | 2.1553 |
| Topological Polar Surface Area | 91.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 339.09225 |
| Monoisotopic Mass | 339.09225 |
| Heavy Atoms | 21 |
| Complexity | 367.76785 |
Chemical Identifiers
| CAS Number | 77248-40-9 |
|---|---|
| SMILES | CCCOC(=O)N(CCO)SN(C)C(=O)O/N=C(\C)/SC |
Product Overview
RefChem:1074117 (CAS 77248-40-9), with molecular formula C11H21N3O5S2 and molecular weight 339.09225 g/mol. IUPAC: methyl (1E)-N-[[2-hydroxyethyl(propoxycarbonyl)amino]sulfanyl-methylcarbamoyl]oxyethanimidothioate.
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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