Basic information
- CAS
100849-44-3- Standard SMILES
CCC1(CC)C(=O)NC(=O)N(CSC)C1=O- InChIKey
QVXZMYYMGSYWEH-UHFFFAOYSA-N- Molecular formula
- C10H16N2O3S
- Average molar mass
- 244.31 g/mol
- Monoisotopic mass
- 244.08816355
Names & identifiers
- Preferred name
- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-((methylthio)methyl)-
- IUPAC
- 5,5-diethyl-1-(methylsulfanylmethyl)-1,3-diazinane-2,4,6-trione
Names & synonyms
BRN 59563082,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-((methylthio)methyl)-100849-44-3Barbituric acid, 5,5-diethyl-1-(methylthiomethyl)-DTXSID701435395,5-Diethyl-1-((methylthio)methyl)-2,4,6(1H,3H,5H)-pyrimidinetrioneRefChem:245614DTXCID0066030QVXZMYYMGSYWEH-UHFFFAOYSA-N2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-(methylthiomethyl)-5,5-DIETHYL-1-[(METHYLSULFANYL)METHYL]-1,3-DIAZINANE-2,4,6-TRIONE5,5-Diethyl-1-[(methylsulfanyl)methyl]-2,4,6(1H,3H,5H)-pyrimidinetrione #
Database identifiers
- CAS
100849-44-3- PubChem CID
- 545007
- DTXSID
DTXSID70143539
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 91.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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