Basic information
- CAS
51461-76-8- Standard SMILES
CSc1nc(N)c(S(N)(=O)=O)c(N)n1- InChIKey
OBGYTTSCFOSDGK-UHFFFAOYSA-N- Molecular formula
- C5H9N5O2S2
- Average molar mass
- 235.3 g/mol
- Monoisotopic mass
- 235.01976689
Names & identifiers
- Preferred name
- 5-Pyrimidinesulfonamide, 4,6-diamino-2-methylthio-
- IUPAC
- 4,6-diamino-2-methylsulfanylpyrimidine-5-sulfonamide
- English name
- 4,6-Diamino-2-methylthio-5-pyrimidinesulfonamide
- Molecular formula
- C5H9N5O2S2
- Molecular weight
- 235.29
Names & synonyms
51461-76-85-Pyrimidinesulfonamide, 4,6-diamino-2-methylthio-DTXSID80199441RefChem:1073277DTXCID101219324,6-Diamino-2-methylthio-5-pyrimidine sulfonamideNSC 65397BRN 0535743NSC65397NCIOpen2_0029244,6-diamino-2-(methylsulfanyl)pyrimidine-5-sulfonamideNSC-65397
Show more names
4,6-Diamino-2-methylthio-5-pyrimidinesulfonamide5-Pyrimidinesulfonamide, 4,6-diamino-2-(methylthio)-
WLN: T6N CNJ BS1 DZ ESZW FZ5-Pyrimidinesulfonamide,6-diamino-2-methylthio-5-Pyrimidinesulfonamide,6-diamino-2-(methylthio)-
Database identifiers
- CAS
51461-76-8- PubChem CID
- 96282
- DTXSID
DTXSID80199441- Nikkaji
- J86.948A
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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