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Basic information
- CAS
20566-99-8- Standard SMILES
NC(N)=NC(N)=Nc1ccc(S(=O)c2ccc(N=C(N)N=C(N)N)cc2)cc1- InChIKey
IJAWTDQVPNDEKB-UHFFFAOYSA-N- Molecular formula
- C16H20N10OS
- Average molar mass
- 400.5 g/mol
- Monoisotopic mass
- 400.15422647
Names & identifiers
- Preferred name
- Biguanide, 1,1'-(sulfinyldi-p-phenylene)bis-
- IUPAC
- 2-[4-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]sulfinylphenyl]-1-(diaminomethylidene)guanidine
- English name
- 1,1'-[Sulfinylbis(4,1-phenylene)]bisbiguanide
- Molecular formula
- C16H20N10OS
- Molecular weight
- 400.46
Names & synonyms
BRN 2191477BIGUANIDE, 1,1'-(SULFINYLDI-p-PHENYLENE)BIS-T-122220566-99-81,1'-(Sulfinyldi-p-phenylene)bis-biguanideDTXSID10174569RefChem:329440DTXCID7097060N'',N'''-[Sulfinyldi(4,1-phenylene)]bis[N-(diaminomethylidene)guanidine]4,4'-Dibiguanyl-diphenylsulfoxid1,1'-[Sulfinylbis(4,1-phenylene)]bisbiguanideImidodicarbonimidic diamide, N,N''''-(sulfinyldi-4,1-phenylene)bis- (9CI)
Database identifiers
- CAS
20566-99-8- PubChem CID
- 30188
- DTXSID
DTXSID10174569- Nikkaji
- J78.963A
Properties
Computed structural propertiesFilling in
- XLogP
- -1.4
- Topological polar surface area
- 242 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 609
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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