Basic information
- CAS
100849-50-1- Standard SMILES
CCC1(c2ccccc2)C(=O)N(CSC)C(=O)N(CSC)C1=O- InChIKey
XVOKCQVRDWDTRD-UHFFFAOYSA-N- Molecular formula
- C16H20N2O3S2
- Average molar mass
- 352.5 g/mol
- Monoisotopic mass
- 352.09153485
Names & identifiers
- Preferred name
- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-N,N'-bis((methylthio)methyl)-5-phenyl-
- IUPAC
- 5-ethyl-1,3-bis(methylsulfanylmethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
Names & synonyms
BRN 59927632,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-N,N'-bis((methylthio)methyl)-5-phenyl-100849-50-1DTXSID40143541Barbituric acid, 1,3-bis(methylthiomethyl)-5-ethyl-5-phenyl-5-Ethyl-N,N'-bis((methylthio)methyl)-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrioneRefChem:245639DTXCID0066032XVOKCQVRDWDTRD-UHFFFAOYSA-N5-Ethyl-1,3-bis(methylthiomethyl)-5-phenyl-2,4,6-pyrimidinetrione5-ETHYL-1,3-BIS[(METHYLSULFANYL)METHYL]-5-PHENYL-1,3-DIAZINANE-2,4,6-TRIONE5-Ethyl-1,3-bis[(methylsulfanyl)methyl]-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione #
Database identifiers
- CAS
100849-50-1- PubChem CID
- 548425
- DTXSID
DTXSID40143541
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 450
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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