Basic information
- CAS
19602-86-9- Standard SMILES
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1SSc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1- InChIKey
SPPXIUOVSUAEGS-UHFFFAOYSA-N- Molecular formula
- C26H18N4O6S2
- Average molar mass
- 546.6 g/mol
- Monoisotopic mass
- 546.0667763
Names & identifiers
- Preferred name
- 2,2'-Dithiobis(N-(3-nitrophenyl)benzamide)
- IUPAC
- N-(3-nitrophenyl)-2-[[2-[(3-nitrophenyl)carbamoyl]phenyl]disulfanyl]benzamide
- English name
- N-(3-nitrophenyl)-2-[2-[(3-nitrophenyl)carbamoyl]phenyl]disulfanyl-ben zamide
- Molecular formula
- C26H18N4O6S2
- Molecular weight
- 546.58
Names & synonyms
19602-86-92,2'-Dithiobis(N-(3-nitrophenyl)benzamide)N-(3-nitrophenyl)-2-[[2-[(3-nitrophenyl)carbamoyl]phenyl]disulfanyl]benzamide2,2'-Dithiobis[N-(3-nitrophenyl)benzamide]CHEMBL301346SCHEMBL8855719DTXSID30173271SPPXIUOVSUAEGS-UHFFFAOYSA-NN-(3-NITROPHENYL)-2-[2-[(3-NITROPHENYL)CARBAMOYL]PHENYL]DISULFANYL-BEN ZAMIDE2,2'-Disulfanediylbis[N-(3-nitrophenyl)benzamide]Benzamide, 2,2'-dithiobis[N-(3-nitrophenyl)- (9CI)
Database identifiers
- CAS
19602-86-9- PubChem CID
- 457468
- DTXSID
DTXSID30173271- ChEMBL
CHEMBL301346
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 200 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 785
Physicochemical properties
- Boiling point
- 595.985 · 595.985±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.522 · 1.522±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.788 · 11.788±0.70(predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
3 records
Compound notes
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