Basic information
- CAS
3905-92-8- Standard SMILES
Nc1cc(S(N)(=O)=O)ccc1SSc1ccc(S(N)(=O)=O)cc1N- InChIKey
CVACEDCBGCMVKB-UHFFFAOYSA-N- Molecular formula
- C12H14N4O4S4
- Average molar mass
- 406.5 g/mol
- Monoisotopic mass
- 405.98978963
Names & identifiers
- Preferred name
- Disulfide, bis(2-amino-4-sulfamoylphenyl)
- IUPAC
- 3-amino-4-[(2-amino-4-sulfamoylphenyl)disulfanyl]benzenesulfonamide
- English name
- 4,4'-Dithiobis(3-aminobenzenesulfonamide)
- Molecular formula
- C12H14N4O4S4
- Molecular weight
- 406.52
Names & synonyms
3905-92-8Metanilamide, 4,4'-dithiodi-DISULFIDE, BIS(2-AMINO-4-SULFAMOYLPHENYL)Metanilamide, 4,4'-dithobis-Metanilamide, 4,4'-dithiobis-Bis(2-amino-4-sulfonamidophenyl) disulfideNSC 83217BRN 2711131Benzenesulfonamide, 4,4'-dithiobis(3-amino-DTXSID701923004-14-00-02821 (Beilstein Handbook Reference)RefChem:339216
Show more names
Benzenesulfonamide, 4,4'-dithiobis[3-amino-
DTXCID40114791Metanilamide, 4,4'-dithiobis-(8CI)Benzenesulfonamide, 4,4'-dithiobis(3-amino-(9CI)NSC83217NSC-83217E477AF37KF4,4'-Dithiobis(3-aminobenzenesulfonamide)4,4'-Dithiobis[3-aminobenzenesulfonamide]
Database identifiers
- CAS
3905-92-8- PubChem CID
- 19790
- DTXSID
DTXSID70192300- ChEMBL
CHEMBL120806- UNII
- E477AF37KF
- Nikkaji
- J87.556B
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 240 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 574
Physicochemical properties
- Melting point
- 188 · 188-190 °C(Solv: ethanol (64-17-5); water (7732-18-5))
- Boiling point
- 700.7 · 700.7±70.0 °C(Predicted)
- Density
- 1.76 · 1.76±0.1 g/cm3(Predicted)
- pka
- 9.8 · 9.80±0.60(Predicted)
- FDA UNII
- 477 AF37KF · E477AF37KF
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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