Basic information
- CAS
53414-36-1- Standard SMILES
C=CCC1(CC=C)C(=O)N(C2CCCCC2)C(=S)N(C2CCCCC2)C1=O- InChIKey
KWSMOHNJZDTXGU-UHFFFAOYSA-N- Molecular formula
- C22H32N2O2S
- Average molar mass
- 388.6 g/mol
- Monoisotopic mass
- 388.21844944
Names & identifiers
- Preferred name
- Barbituric acid, 5,5-diallyl-1,3-dicyclohexyl-2-thio-
- IUPAC
- 1,3-dicyclohexyl-5,5-bis(prop-2-enyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Names & synonyms
BARBITURIC ACID, 5,5-DIALLYL-1,3-DICYCLOHEXYL-2-THIO-53414-36-11,3-Dicyclohexyl-2-thio-5,5-diallylbarbituric acid5,5-Diallyl-1,3-dicyclohexyl-2-thiobarbituric acidDTXSID502015804,6(1H,5H)-Pyrimidinedione, 1,3-dicyclohexyldihydro-5,5-di-2-propenyl-2-thioxo-RefChem:320636DTXCID801240711,3-Dicyclohexyl-5,5-di(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Database identifiers
- CAS
53414-36-1- PubChem CID
- 40770
- DTXSID
DTXSID50201580
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 566
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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