Basic information
- CAS
5347-05-7- Standard SMILES
CCCC1(CCS)C(=O)NC(=O)NC1=O- InChIKey
HATKAICMSCFKOK-UHFFFAOYSA-N- Molecular formula
- C9H14N2O3S
- Average molar mass
- 230.29 g/mol
- Monoisotopic mass
- 230.07251349
Names & identifiers
- Preferred name
- 5-Propyl-5-(2-sulfanylethyl)-1,3-diazinane-2,4,6-trione
- IUPAC
- 5-propyl-5-(2-sulfanylethyl)-1,3-diazinane-2,4,6-trione
Names & synonyms
5347-05-7NSC3734DTXSID90968180NSC-37344,6-Dihydroxy-5-propyl-5-(2-sulfanylethyl)pyrimidin-2(5H)-one
Database identifiers
- CAS
5347-05-7- PubChem CID
- 220682
- DTXSID
DTXSID90968180
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 76.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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