5-Isopropyl-1-ethoxymethyl-6-(phenylthio)-2-thiouracil
Basic information
- CAS
136160-33-3- Standard SMILES
CCOCn1c(Sc2ccccc2)c(C(C)C)c(=O)[nH]c1=S- InChIKey
JBXJJJIJIRTXCY-UHFFFAOYSA-N- Molecular formula
- C16H20N2O2S2
- Average molar mass
- 336.5 g/mol
- Monoisotopic mass
- 336.09662023
Names & identifiers
- Preferred name
- 5-Isopropyl-1-ethoxymethyl-6-(phenylthio)-2-thiouracil
- IUPAC
- 1-(ethoxymethyl)-6-phenylsulfanyl-5-propan-2-yl-2-sulfanylidenepyrimidin-4-one
Names & synonyms
136160-33-31-EtOMe-6PhS-5-i-Pr2thio UI-EPU-S5-Isopropyl-1-ethoxymethyl-6-(phenylthio)-2-thiouracilCHEMBL1330361-(Ethoxymethyl)-5-isopropyl-6-(phenylthio)-2-thioxo-2,3-dihydropyrimidin-4(1H)-oneDTXSID30159712BDBM500041181-(ethoxymethyl)-5-isopropyl-6-phenylsulfanyl-2-thioxo-pyrimidin-4-one1-Ethoxymethyl-5-isopropyl-6-phenylsulfanyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one1-(Ethoxymethyl)-6-(phenylsulfanyl)-5-(propan-2-yl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Database identifiers
- CAS
136160-33-3- PubChem CID
- 3000400
- DTXSID
DTXSID30159712- ChEMBL
CHEMBL133036- Nikkaji
- J522.702J
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 457
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Compound notes
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