Basic information
- CAS
67050-72-0- Standard SMILES
CCC(C)SCC1(CC)C(=O)NC(=O)NC1=O- InChIKey
KRDGQYQCMLUDFU-UHFFFAOYSA-N- Molecular formula
- C11H18N2O3S
- Average molar mass
- 258.34 g/mol
- Monoisotopic mass
- 258.10381361
Names & identifiers
- Preferred name
- 5-[(sec-Butylmercapto)methyl]-5-ethylbarbituric acid
- IUPAC
- 5-(butan-2-ylsulfanylmethyl)-5-ethyl-1,3-diazinane-2,4,6-trione
Names & synonyms
DTXSID208736325-[(sec-Butylmercapto)methyl]-5-ethylbarbituric acid5-{[(Butan-2-yl)sulfanyl]methyl}-5-ethyl-1,3-diazinane-2,4,6-trione
Database identifiers
- CAS
67050-72-0- PubChem CID
- 49231
- DTXSID
DTXSID20873632
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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