5-Ethyl-5-(sulfinylamino)-1,3,2-dioxathiane 2-oxide
Basic information
- CAS
1197-85-9- Standard SMILES
CCC1(N=S=O)COS(=O)OC1- InChIKey
CNXDZOKMUYLYHG-UHFFFAOYSA-N- Molecular formula
- C5H9NO4S2
- Average molar mass
- 211.3 g/mol
- Monoisotopic mass
- 210.99730012
Names & identifiers
- Preferred name
- 5-Ethyl-5-(sulfinylamino)-1,3,2-dioxathiane 2-oxide
- IUPAC
- 5-ethyl-5-(sulfinylamino)-1,3,2-dioxathiane 2-oxide
Names & synonyms
1197-85-9NSC64933DTXSID50923073NSC-649335-Ethyl-5-[(oxo-lambda~4~-sulfanylidene)amino]-1,3,2lambda~4~-dioxathian-2-one
Database identifiers
- CAS
1197-85-9- PubChem CID
- 248243
- DTXSID
DTXSID50923073
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 228
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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