Basic information
- CAS
52081-02-4- Standard SMILES
CSc1nc(NC(C)C)nc(NC(C)C)n1.C[As](=O)([O-])O.[Na+]- InChIKey
FYHAWMDFYTWBBL-UHFFFAOYSA-M- Molecular formula
- C11H23AsN5NaO3S
- Average molar mass
- 403.31 g/mol
- Monoisotopic mass
- 403.063525
Names & identifiers
- Preferred name
- Arsonic acid, methyl-, monosodium salt, mixt. with N,N'-bis(1-methylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine
- IUPAC
- sodium;hydroxy(methyl)arsinate;6-methylsulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
Names & synonyms
52081-02-4Arsonic acid, methyl-, monosodium salt, mixt. with N,N'-bis(1-methylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamineDTXSID90200072Sodium hydrogen methylarsonate--6-(methylsulfanyl)-N~2~,N~4~-di(propan-2-yl)-1,3,5-triazine-2,4-diamine (1/1/1)
Database identifiers
- CAS
52081-02-4- PubChem CID
- 23684591
- DTXSID
DTXSID90200072
Properties
Computed structural properties
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 253
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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