Basic information
- CAS
63449-92-3- Standard SMILES
Nc1nc(N)c(N)c(N)n1.O=S([O-])O- InChIKey
LHWUSBBIUNUWFV-UHFFFAOYSA-M- Molecular formula
- C4H9N6O3S-
- Average molar mass
- 221.22 g/mol
- Monoisotopic mass
- 221.04568434
Names & identifiers
- Preferred name
- Pyrimidinetetramine sulphite (1:1)
- IUPAC
- hydrogen sulfite;pyrimidine-2,4,5,6-tetramine
Names & synonyms
2,4,5,6-Pyrimidinetetramine, sulfite (1:1)Pyrimidinetetramine sulphite (1:1)63449-92-3EINECS 264-163-12,4,5,6-Tetraaminopyrimidine sulfitePyrimidine, 2,4,5,6-tetraamino-, sulfite (1:1)LHWUSBBIUNUWFV-UHFFFAOYSA-M
Database identifiers
- CAS
63449-92-3- PubChem CID
- 6400564
- EC Number
- 264-163-1
Properties
Computed structural properties
- Topological polar surface area
- 209 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- -1
- Complexity
- 129
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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