Basic information
- CAS
66941-69-3- Standard SMILES
C=CCC1(C(C)SCC)C(=O)NC(=O)NC1=O- InChIKey
MBBJRQFEJDRJCQ-UHFFFAOYSA-N- Molecular formula
- C11H16N2O3S
- Average molar mass
- 256.32 g/mol
- Monoisotopic mass
- 256.08816355
Names & identifiers
- Preferred name
- 5-[1-(Ethylthio)ethyl]-5-(2-propenyl)barbituric acid
- IUPAC
- 5-(1-ethylsulfanylethyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Names & synonyms
5-[1-(Ethylthio)ethyl]-5-(2-propenyl)barbituric acid66941-69-3DTXSID908738265-[1-(Ethylsulfanyl)ethyl]-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione
Database identifiers
- CAS
66941-69-3- PubChem CID
- 48544
- DTXSID
DTXSID90873826
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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