Basic information
- CAS
66968-58-9- Standard SMILES
CCC1(CSCCC(C)C)C(=O)NC(=O)NC1=O- InChIKey
QQDPWYAUARKZON-UHFFFAOYSA-N- Molecular formula
- C12H20N2O3S
- Average molar mass
- 272.37 g/mol
- Monoisotopic mass
- 272.11946368
Names & identifiers
- Preferred name
- 5-Ethyl-5-(3-methylbutylsulfanylmethyl)-1,3-diazinane-2,4,6-trione
- IUPAC
- 5-ethyl-5-(3-methylbutylsulfanylmethyl)-1,3-diazinane-2,4,6-trione
Names & synonyms
5-ethyl-5-(3-methylbutylsulfanylmethyl)-1,3-diazinane-2,4,6-trioneDTXSID608736365-Ethyl-5-[(isoamylmercapto)methyl]barbituric acid5-Ethyl-5-{[(3-methylbutyl)sulfanyl]methyl}-1,3-diazinane-2,4,6-trione
Database identifiers
- CAS
66968-58-9- PubChem CID
- 48768
- DTXSID
DTXSID60873636
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…