Basic information
- CAS
6968-00-9- Standard SMILES
NC(N)=Nc1ccccc1SSc1ccccc1N=C(N)N- InChIKey
UUGWBZHJUJKMHH-UHFFFAOYSA-N- Molecular formula
- C14H16N6S2
- Average molar mass
- 332.5 g/mol
- Monoisotopic mass
- 332.08778688
Names & identifiers
- Preferred name
- 1-[2-[(2-Guanidinophenyl)disulfanyl]phenyl]guanidine
- IUPAC
- 2-[2-[[2-(diaminomethylideneamino)phenyl]disulfanyl]phenyl]guanidine
Names & synonyms
NSC206251-[2-[(2-guanidinophenyl)disulfanyl]phenyl]guanidineCHEMBL3321162-[2-[[2-(diaminomethylideneamino)phenyl]disulfanyl]phenyl]guanidineGuanidine, N-[2-[[2-[(aminoiminomethyl)amino]phenyl]dithio]phenyl]-
Database identifiers
- CAS
6968-00-9- PubChem CID
- 409374
- ChEMBL
CHEMBL332116
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 368
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…