Basic information
- CAS
67051-07-4- Standard SMILES
CCSCC1(CC(C)C)C(=O)NC(=O)NC1=O- InChIKey
ZKYPYMAGULMPKU-UHFFFAOYSA-N- Molecular formula
- C11H18N2O3S
- Average molar mass
- 258.34 g/mol
- Monoisotopic mass
- 258.10381361
Names & identifiers
- Preferred name
- 5-[(Ethylmercapto)methyl]-5-isobutylbarbituric acid
- IUPAC
- 5-(ethylsulfanylmethyl)-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione
Names & synonyms
5-[(Ethylmercapto)methyl]-5-isobutylbarbituric acidDTXSID8087363867051-07-45-[(Ethylsulfanyl)methyl]-5-(2-methylpropyl)-1,3-diazinane-2,4,6-trione
Database identifiers
- CAS
67051-07-4- PubChem CID
- 52202
- DTXSID
DTXSID80873638
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 322
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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