5-Ethyl-1-isobutyl-6-(phenylthio)-2-thiouracil
Basic information
- CAS
136160-39-9- Standard SMILES
CCc1c(Sc2ccccc2)n(CC(C)C)c(=S)[nH]c1=O- InChIKey
PANPMNUDCYWCPD-UHFFFAOYSA-N- Molecular formula
- C16H20N2OS2
- Average molar mass
- 320.5 g/mol
- Monoisotopic mass
- 320.10170561
Names & identifiers
- Preferred name
- 5-Ethyl-1-isobutyl-6-(phenylthio)-2-thiouracil
- IUPAC
- 5-ethyl-1-(2-methylpropyl)-6-phenylsulfanyl-2-sulfanylidenepyrimidin-4-one
Names & synonyms
136160-39-95-Ethyl-1-isobutyl-6-(phenylthio)-2-thiouracil1-i-Bu-6PhS-5Et2thio UCHEMBL1359965-Ethyl-1-isobutyl-6-(phenylthio)-2-thioxo-2,3-dihydropyrimidin-4(1H)-oneDTXSID90159718BDBM500041435-ethyl-1-isobutyl-6-phenylsulfanyl-2-thioxo-pyrimidin-4-one5-Ethyl-1-isobutyl-6-phenylsulfanyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one5-Ethyl-1-(2-methylpropyl)-6-(phenylsulfanyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Database identifiers
- CAS
136160-39-9- PubChem CID
- 3000393
- DTXSID
DTXSID90159718- ChEMBL
CHEMBL135996- Nikkaji
- J925.450A
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 89.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 440
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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