Basic information
- CAS
109351-14-6- Standard SMILES
COc1cc(N=CNN=C(N)N)c(S(=O)(=O)c2ccc(N(C(=N)N)C(=N)N)cc2)cc1OC- InChIKey
ZKFVGIIUXDGNAB-UHFFFAOYSA-N- Molecular formula
- C18H24N10O4S
- Average molar mass
- 476.5 g/mol
- Monoisotopic mass
- 476.17027046
Names & identifiers
- Preferred name
- Imidodicarbonimidic diamide, N-(4-((2-((((aminoiminomethyl)amino)iminomethyl)amino)-4,5-dimethoxyphenyl)sulfonyl)phenyl)-
- IUPAC
- N-(diaminomethylideneamino)-N'-[2-[4-(dicarbamimidoylamino)phenyl]sulfonyl-4,5-dimethoxyphenyl]methanimidamide
Names & synonyms
2,4'-Dibiguanido-4,5-dimethoxydiphenyl sulfoneImidodicarbonimidic diamide, N-(4-((2-((((aminoiminomethyl)amino)iminomethyl)amino)-4,5-dimethoxyphenyl)sulfonyl)phenyl)-109351-14-6DTXSID30148909RefChem:348998DTXCID1071400N-(4-{2-[(E)-{[2-(Diaminomethylidene)hydrazin-1-yl]methylidene}amino]-4,5-dimethoxybenzene-1-sulfonyl}phenyl)triimidodicarbonic diamide
Database identifiers
- CAS
109351-14-6- PubChem CID
- 3065992
- DTXSID
DTXSID30148909
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 253 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 833
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…