Basic information
- CAS
5437-69-4- Standard SMILES
CC(CCS(C)(=O)=O)([N+](=O)[O-])[N+](=O)[O-]- InChIKey
GSQPGCJEAKMRMD-UHFFFAOYSA-N- Molecular formula
- C5H10N2O6S
- Average molar mass
- 226.21 g/mol
- Monoisotopic mass
- 226.02595722
Names & identifiers
- Preferred name
- 1-(Methylsulfonyl)-3,3-dinitrobutane
- IUPAC
- 1-methylsulfonyl-3,3-dinitrobutane
- English name
- 1-methylsulfonyl-3,3-dinitro-butane
- Molecular formula
- C5H10N2O6S
- Molecular weight
- 226.21
Names & synonyms
5437-69-41-(methylsulfonyl)-3,3-dinitrobutaneNSC16178Butane,1-(methylsulfonyl)-3,3-dinitro-DTXSID40280268NSC-161781-(Methanesulfonyl)-3,3-dinitrobutaneDS-007307(3,3-dinitro-butyl)-methyl sulfone1-methylsulfonyl-3,3-dinitro-butaneButane, 1-(methylsulfonyl)-3,3-dinitro-
Database identifiers
- CAS
5437-69-4- PubChem CID
- 226089
- DTXSID
DTXSID40280268
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 317
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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