Basic information
- CAS
56948-13-1- Standard SMILES
COc1cc(N)c(Sc2ccc(N(C(=N)N)C(=N)N)cc2)cc1OC- InChIKey
RBESNAAXESHZTD-UHFFFAOYSA-N- Molecular formula
- C16H20N6O2S
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.13684508
Names & identifiers
- Preferred name
- Imidodicarbonimidic diamide, N-(4-((2-amino-4,5-dimethoxyphenyl)thio)phenyl)-
- IUPAC
- 1-[4-(2-amino-4,5-dimethoxyphenyl)sulfanylphenyl]-1-carbamimidoylguanidine
Names & synonyms
BRN 3074628Imidodicarbonimidic diamide, N-(4-((2-amino-4,5-dimethoxyphenyl)thio)phenyl)-2-Amino-4,5-dimethoxy-4'-biguanidodiphenyl sulfide56948-13-1DTXSID40205496N-(4-((2-Amino-4,5-dimethoxyphenyl)thio)phenyl)imidodicarbonimidic diamideRefChem:348999DTXCID40127987N-{4-[(2-Amino-4,5-dimethoxyphenyl)sulfanyl]phenyl}triimidodicarbonic diamide
Database identifiers
- CAS
56948-13-1- PubChem CID
- 3044232
- DTXSID
DTXSID40205496
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 458
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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