Basic information
- CAS
5433-44-3- Standard SMILES
NS(=O)(=O)c1ccc(N=NNc2ccc(S(N)(=O)=O)cc2)cc1- InChIKey
WKKNCBFGLHEOCW-UHFFFAOYSA-N- Molecular formula
- C12H13N5O4S2
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.04089626
Overview
transplacental mutagen formed from sodium nitrite & sulfanilamide
Names & identifiers
- Preferred name
- 1,3-Di(4-sulfamoylphenyl)triazene
- IUPAC
- 4-[2-(4-sulfamoylphenyl)iminohydrazinyl]benzenesulfonamide
- English name
- 1,3-di(4-sulfamoylphenyl)triazene
- Molecular formula
- C12H13N5O4S2
- Molecular weight
- 355.39
Names & synonyms
1,3-Di(4-sulfamoylphenyl)triazeneDSPT5433-44-3p,p'-TriazenylenedibenzenesulfonamideBenzenesulfonamide, p,p'-triazenylenedi-Benzenesulfonamide, 4,4'-(1-triazene-1,3-diyl)bis-NSC-132272G7683ZN80DTXSID20202701RefChem:72560DTXCID101251924-[2-(4-sulfamoylphenyl)iminohydrazinyl]benzenesulfonamide
Show more names
Sulfadimethoxine Impurity 7Sulfadimethoxine Impurity 1Benzenesulfonamide, 4,4'-(1-triazene-1,3-diyl)bis- (9CI)
NSC 13227BRN 31720554-(2-(4-SULFAMOYLPHENYL)IMINOHYDRAZINYL)BENZENESULFONAMIDEUNII-2G7683ZN804,4'-triaz-1-ene-1,3-diyldibenzenesulfonamide3-16-00-00663 (Beilstein Handbook Reference)SCHEMBL3501087NSC13227
Database identifiers
- CAS
5433-44-3- PubChem CID
- 95003
- DTXSID
DTXSID20202701- UNII
- 2G7683ZN80
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 174 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 607
Physicochemical properties
- Boiling point
- 613.4 · 613.4±65.0 °C(Predicted)
- Density
- 1.4856 · 1.4856 (rough estimate)
- refractive index
- 1.646 · 1.6460 (estimate)
- pka
- 9.61 · 9.61±0.12(Predicted)
- FDA UNII
- 2 G7683ZN80 · 2G7683ZN80
Chemistry & industry
Suppliers4 total
孟成科技（上海）有限公司400-820-6829 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
石家庄耀博医药科技有限公司15633056635 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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