1-Ethyl-6-(phenylthio)thymine
Basic information
- CAS
136160-20-8- Standard SMILES
CCn1c(Sc2ccccc2)c(C)c(=O)[nH]c1=O- InChIKey
IHVOGKKVBQKZSA-UHFFFAOYSA-N- Molecular formula
- C13H14N2O2S
- Average molar mass
- 262.33 g/mol
- Monoisotopic mass
- 262.07759887
Names & identifiers
- Preferred name
- 1-Ethyl-6-(phenylthio)thymine
- IUPAC
- 1-ethyl-5-methyl-6-phenylsulfanylpyrimidine-2,4-dione
Names & synonyms
1-Ethyl-6-(phenylthio)thymine1-Et6PhS T136160-20-8CHEMBL38768DTXSID60159705BDBM500041361-ethyl-5-methyl-6-phenylsulfanyl-pyrimidine-2,4-dione1-Ethyl-5-methyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione1-Ethyl-5-methyl-6-(phenylsulfanyl)pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
136160-20-8- PubChem CID
- 454567
- DTXSID
DTXSID60159705- ChEMBL
CHEMBL38768- Nikkaji
- J522.715A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 386
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Compound notes
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