5-Ethyl-1-((cyclohexyloxy)methyl)-6-(phenylthio)-2-thiouracil
Basic information
- CAS
136160-41-3- Standard SMILES
CCc1c(Sc2ccccc2)n(COC2CCCCC2)c(=S)[nH]c1=O- InChIKey
SJTXRYWYJVKJBO-UHFFFAOYSA-N- Molecular formula
- C19H24N2O2S2
- Average molar mass
- 376.5 g/mol
- Monoisotopic mass
- 376.12792036
Names & identifiers
- Preferred name
- 5-Ethyl-1-((cyclohexyloxy)methyl)-6-(phenylthio)-2-thiouracil
- IUPAC
- 1-(cyclohexyloxymethyl)-5-ethyl-6-phenylsulfanyl-2-sulfanylidenepyrimidin-4-one
Names & synonyms
1-cyHexOMe-6PhS-5Et2thio U5-Ethyl-1-((cyclohexyloxy)methyl)-6-(phenylthio)-2-thiouracil136160-41-3CHEMBL3365775-Ethyl-1-[(cyclohexyloxy)methyl]-6-(phenylthio)-2-thiouracilDTXSID60159720BDBM500041451-(cyclohexoxymethyl)-5-ethyl-6-phenylsulfanyl-2-thioxo-pyrimidin-4-one1-Cyclohexyloxymethyl-5-ethyl-6-phenylsulfanyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one1-[(Cyclohexyloxy)methyl]-5-ethyl-6-(phenylsulfanyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Database identifiers
- CAS
136160-41-3- PubChem CID
- 3000394
- DTXSID
DTXSID60159720- ChEMBL
CHEMBL336577- Nikkaji
- J522.696A
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 524
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Compound notes
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