Basic information
- CAS
6293-53-4- Standard SMILES
CCC(CS(=O)(=O)O)[N+](=O)[O-].N- InChIKey
IAYJTCDGIDYACG-UHFFFAOYSA-N- Molecular formula
- C4H12N2O5S
- Average molar mass
- 200.22 g/mol
- Monoisotopic mass
- 200.04669266
Names & identifiers
- Preferred name
- Ammonium 2-nitrobutane-1-sulphonate
- IUPAC
- azane;2-nitrobutane-1-sulfonic acid
Names & synonyms
6293-53-4NSC8960WLN: WSQ1Y2&NW &ZHButanesulfonic acid, ammonium salt1-Butanesulfonic acid, ammonium saltNSC3767NSC 3767Ammonium 2-nitrobutane-1-sulphonateNSC 8960EINECS 228-554-0NSC-8960CHEMBL1987754
Show more names
IAYJTCDGIDYACG-UHFFFAOYSA-NNSC-3767
Database identifiers
- CAS
6293-53-4- PubChem CID
- 111185
- ChEMBL
CHEMBL1987754- EC Number
- 228-554-0
Properties
Computed structural properties
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 222
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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