Basic information
- CAS
71674-15-2- Standard SMILES
CCSC(=O)OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]- InChIKey
WVQHBQIWJMIORA-UHFFFAOYSA-N- Molecular formula
- C5H7N3O8S
- Average molar mass
- 269.19 g/mol
- Monoisotopic mass
- 268.99538536
Names & identifiers
- Preferred name
- 2,2,2-Trinitroethyl ethylsulfanylformate
- IUPAC
- 2,2,2-trinitroethyl ethylsulfanylformate
Names & synonyms
71674-15-22,2,2-trinitroethyl ethylsulfanylformateNSC312441DTXSID80317188NSC-312441S-Ethyl O-(2,2,2-trinitroethyl) carbonothioate
Database identifiers
- CAS
71674-15-2- PubChem CID
- 329461
- DTXSID
DTXSID80317188
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 189 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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