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Basic information
- CAS
20567-00-4- Standard SMILES
NC(N)=NC(N)=Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1- InChIKey
YJLCCMGIGCFTKQ-UHFFFAOYSA-N- Molecular formula
- C14H14N6O2S
- Average molar mass
- 330.37 g/mol
- Monoisotopic mass
- 330.08989488
Names & identifiers
- Preferred name
- Biguanide, 1-(p-((p-nitrophenyl)thio)phenyl)-
- IUPAC
- 1-(diaminomethylidene)-2-[4-(4-nitrophenyl)sulfanylphenyl]guanidine
- English name
- 1-[4-[(4-Nitrophenyl)thio]phenyl]biguanide
- Molecular formula
- C14H14N6O2S
- Molecular weight
- 330.36
Names & synonyms
BRN 217630220567-00-4BIGUANIDE, 1-(p-((p-NITROPHENYL)THIO)PHENYL)-T-12121-(p-((p-Nitrophenyl)thio)phenyl)biguanideN-(4-((4-Nitrophenyl)thio)phenyl)imidodicarbonimidic diamideDTXSID20174570Imidodicarbonimidic diamide, N-(4-((4-nitrophenyl)thio)phenyl)-RefChem:329450DTXCID2097061N-(DIAMINOMETHYLIDENE)-N''-{4-[(4-NITROPHENYL)SULFANYL]PHENYL}GUANIDINE1-[4-[(4-Nitrophenyl)thio]phenyl]biguanide
Show more names
Imidodicarbonimidic diamide, N-[4-[(4-nitrophenyl)thio]phenyl]-
Database identifiers
- CAS
20567-00-4- PubChem CID
- 30189
- DTXSID
DTXSID20174570- Nikkaji
- J78.962C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 174 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 458
Related reactions
0 records
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Compound notes
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