Completing data — refresh the page later to see the latest
Basic information
- CAS
20566-98-7- Standard SMILES
NC(N)=NC(N)=Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1- InChIKey
KERPYVVCSBJINT-UHFFFAOYSA-N- Molecular formula
- C14H14N6O4S
- Average molar mass
- 362.37 g/mol
- Monoisotopic mass
- 362.07972412
Names & identifiers
- Preferred name
- Biguanide, 1-(p-((p-nitrophenyl)sulfonyl)phenyl)-
- IUPAC
- 1-(diaminomethylidene)-2-[4-(4-nitrophenyl)sulfonylphenyl]guanidine
- English name
- 1-[4-[(4-Nitrophenyl)sulfonyl]phenyl]biguanide
- Molecular formula
- C14H14N6O4S
- Molecular weight
- 362.36
Names & synonyms
BRN 218336420566-98-7T-1214BIGUANIDE, 1-(p-((p-NITROPHENYL)SULFONYL)PHENYL)-1-(p-((p-Nitrophenyl)sulfonyl)phenyl)biguanideDTXSID501745683-13-00-01308 (Beilstein Handbook Reference)RefChem:329449DTXCID8097059N-(Diaminomethylidene)-N''-[4-(4-nitrobenzene-1-sulfonyl)phenyl]guanidine1-[4-[(4-Nitrophenyl)sulfonyl]phenyl]biguanideImidodicarbonimidic diamide, N-[4-[(4-nitrophenyl)sulfonyl]phenyl]-
Database identifiers
- CAS
20566-98-7- PubChem CID
- 30187
- DTXSID
DTXSID50174568- Nikkaji
- J78.961E
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 191 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 631
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…