Basic information
- CAS
5440-96-0- Standard SMILES
NC(N)=NC(N)=Nc1ccc(Sc2ccc(N=C(N)N=C(N)N)cc2)cc1- InChIKey
CZBHHSROUPCMMM-UHFFFAOYSA-N- Molecular formula
- C16H20N10S
- Average molar mass
- 384.5 g/mol
- Monoisotopic mass
- 384.15931185
Names & identifiers
- Preferred name
- N-(4-((4-((((Amino(imino)methyl)amino)(imino)methyl)amino)phenyl)thio)phenyl)dicarbonimidoic diamide/imido
- IUPAC
- 2-[4-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]sulfanylphenyl]-1-(diaminomethylidene)guanidine
Names & synonyms
NSC 206375440-96-0N-(4-((4-((((Amino(imino)methyl)amino)(imino)methyl)amino)phenyl)thio)phenyl)dicarbonimidoic diamide/imidoNSC20637DTXSID502027941-carbamimidoyl-3-[4-[4-[(N-carbamimidoylcarbamimidoyl)amino]phenyl]sulfanylphenyl]guanidineN'',N'''-[Sulfanediyldi(4,1-phenylene)]bis[N-(diaminomethylidene)guanidine]N-(4-((4-((((Amino(imino)methyl)amino)(imino)methyl)amino)phenyl)thio)phenyl)dicarbonimido/ic diamide/imido
Database identifiers
- CAS
5440-96-0- PubChem CID
- 409377
- DTXSID
DTXSID50202794
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 231 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 538
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…