1,3,4-trimethyl-3,4-dihydro-1H-pyrimidine-1,3-diium-2-one sulfate
Basic information
- CAS
22946-41-4- Standard SMILES
CC1C=C[NH+](C)C(=O)[NH+]1C.O=S(=O)([O-])[O-]- InChIKey
XUKXJWQEMLTVFQ-UHFFFAOYSA-N- Molecular formula
- C7H14N2O5S
- Average molar mass
- 238.26 g/mol
- Monoisotopic mass
- 238.06234272
Overview
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Names & identifiers
- Preferred name
- 1,3,4-trimethyl-3,4-dihydro-1H-pyrimidine-1,3-diium-2-one sulfate
- IUPAC
- 1,3,4-trimethyl-3,4-dihydro-1H-pyrimidine-1,3-diium-2-one sulfate
Database identifiers
- CAS
22946-41-4- PubChem CID
- 134813541
Properties
Computed structural properties
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Related reactions
0 records
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Compound notes
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