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Basic information
- CAS
20566-97-6- Standard SMILES
NC(N)=NC(N)=Nc1ccc(S(=O)(=O)c2ccc(N=C(N)N=C(N)N)cc2)cc1- InChIKey
DGAIEPXQRXDOIW-UHFFFAOYSA-N- Molecular formula
- C16H20N10O2S
- Average molar mass
- 416.5 g/mol
- Monoisotopic mass
- 416.14914109
Names & identifiers
- Preferred name
- Biguanide, 1,1'-(sulfonyldi-p-phenylene)bis-
- IUPAC
- 2-[4-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]sulfonylphenyl]-1-(diaminomethylidene)guanidine
- English name
- 1,1'-[Sulfonylbis(4,1-phenylene)]bisbiguanide
- Molecular formula
- C16H20N10O2S
- Molecular weight
- 416.46
Names & synonyms
BIGUANIDE, 1,1'-(SULFONYLDI-p-PHENYLENE)BIS-20566-97-6NSC 20635T-1211BRN 21946191,1'-(Sulfonyldi-p-phenylene)bis-biguanideDTXSID901745673-13-00-01314 (Beilstein Handbook Reference)RefChem:329441DTXCID3097058NSC20635NSC-20635
Show more names
1,1'-[Sulfonylbis(4,1-phenylene)]bisbiguanide
[({4-[(4-{[(Amidinoamino)iminomethyl]amino}phenyl)sulfonyl]phenyl}amino)iminomethyl]aminocarboxamidineD646WU9AEGSCHEMBL170844911,1'-(Sulfonyldi-p-phenylene)bisbiguanideDS-007852N,N''''-(Sulfonyldi-4,1-phenylene)bis[imidodicarbonimidic diamide]Imidodicarbonimidic diamide, N,N''''-(sulfonyldi-4,1-phenylene)bis-N'',N'''-[Sulfonyldi(4,1-phenylene)]bis[N-(diaminomethylidene)guanidine]
Database identifiers
- CAS
20566-97-6- PubChem CID
- 30186
- DTXSID
DTXSID90174567- UNII
- D646WU9AEG
- Nikkaji
- J78.964J
Properties
Computed structural propertiesFilling in
- XLogP
- -1.3
- Topological polar surface area
- 248 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 715
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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