Basic information
- CAS
2877-69-2- Standard SMILES
Nc1nc(N)c(N=Nc2ccc(S(N)(=O)=O)cc2)c(N)n1- InChIKey
DNSOFHYVURNLJL-UHFFFAOYSA-N- Molecular formula
- C10H12N8O2S
- Average molar mass
- 308.32 g/mol
- Monoisotopic mass
- 308.08039283
Names & identifiers
- Preferred name
- 4-(2,4,6-Triamino-5-pyrimidinylazo)benzenesulfonamide
- IUPAC
- 4-[(2,4,6-triaminopyrimidin-5-yl)diazenyl]benzenesulfonamide
- English name
- p-[(2,4,6-Triaminopyrimidin-5-yl)azo]benzenesulfonamide
- Molecular formula
- C10H12N8O2S
- Molecular weight
- 308.32
Names & synonyms
2877-69-24-(2,4,6-Triamino-5-pyrimidinylazo)benzenesulfonamideNSC84124Benzenesulfonamide, p-(2,4,6-triamino-5-pyrimidinyl)azo-M7GX92B484NSC-84124Py-72NSC 84124BRN 0334202NCIOpen2_009441UNII-M7GX92B484DNSOFHYVURNLJL-UHFFFAOYSA-N
Show more names
4-(2,4,6-triamino-pyrimidin-5-ylazo)-benzenesulfonamidep-[(2,4,6-Triaminopyrimidin-5-yl)azo]benzenesulfonamide
DTXSID501384797Benzenesulfonamide,4,6-triamino-5-pyrimidinyl)azo]-4-[(E)-(2,4,6-triaminopyrimidin-5-yl)azo]benzenesulfonamideBenzenesulfonamide, 4-[(2,4,6-triamino-5-pyrimidinyl)azo]-
Database identifiers
- CAS
2877-69-2- PubChem CID
- 73003
- DTXSID
DTXSID501384797- UNII
- M7GX92B484
- Nikkaji
- J41.361E
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 197 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 458
Physicochemical properties
- Melting point
- 327 °C · 327 °C (decomp)
- Boiling point
- 758.69 · 758.690±70.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.893 · 1.893±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.573 · 9.573±0.10(predicted)
- FDA UNII
- 7 GX92B484 · M7GX92B484
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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