(2-Fluoro-2,2-dinitroethyl) ethylsulfanylformate
Basic information
- CAS
71674-16-3- Standard SMILES
CCSC(=O)OCC(F)([N+](=O)[O-])[N+](=O)[O-]- InChIKey
IWBUCBDIKPXPFO-UHFFFAOYSA-N- Molecular formula
- C5H7FN2O6S
- Average molar mass
- 242.18 g/mol
- Monoisotopic mass
- 242.00088528
Names & identifiers
- Preferred name
- (2-Fluoro-2,2-dinitroethyl) ethylsulfanylformate
- IUPAC
- (2-fluoro-2,2-dinitroethyl) ethylsulfanylformate
Names & synonyms
71674-16-3(2-fluoro-2,2-dinitroethyl) ethylsulfanylformateNSC312438DTXSID60317186NSC-312438S-Ethyl O-(2-fluoro-2,2-dinitroethyl) carbonothioate
Database identifiers
- CAS
71674-16-3- PubChem CID
- 329458
- DTXSID
DTXSID60317186
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 260
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Compound notes
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