Benzenesulfonic acid, 4-amino-, compd. with N-cyanoguanidine (1:1)
Basic information
- CAS
68084-28-6- Standard SMILES
N#CN=C(N)N.Nc1ccc(S(=O)(=O)O)cc1- InChIKey
XCMYMZNHQDVNAZ-UHFFFAOYSA-N- Molecular formula
- C8H11N5O3S
- Average molar mass
- 257.27 g/mol
- Monoisotopic mass
- 257.0582604
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 4-amino-, compd. with N-cyanoguanidine (1:1)
- IUPAC
- 4-aminobenzenesulfonic acid;2-cyanoguanidine
Names & synonyms
Cyanoguanidine, 4-aminobenzenesulfonic acid salt68084-28-6DTXSID50887146RefChem:117980DTXCID401026459XCMYMZNHQDVNAZ-UHFFFAOYSA-N4-Aminobenzene-1-sulfonic acid--N-cyanoguanidine (1/1)
Database identifiers
- CAS
68084-28-6- PubChem CID
- 106560
- DTXSID
DTXSID50887146
Properties
Computed structural properties
- Topological polar surface area
- 177 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 310
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 4-amino-, compd. with N-cyanoguanidine (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…