1-Methoxymethyl-6-(phenylthio)thymine
Basic information
- CAS
136160-17-3- Standard SMILES
COCn1c(Sc2ccccc2)c(C)c(=O)[nH]c1=O- InChIKey
FQLWRAIVAUAJFY-UHFFFAOYSA-N- Molecular formula
- C13H14N2O3S
- Average molar mass
- 278.33 g/mol
- Monoisotopic mass
- 278.07251349
Names & identifiers
- Preferred name
- 1-Methoxymethyl-6-(phenylthio)thymine
- IUPAC
- 1-(methoxymethyl)-5-methyl-6-phenylsulfanylpyrimidine-2,4-dione
Names & synonyms
1-Methoxymethyl-6-(phenylthio)thymine1-MeOMe-6PhS T136160-17-3CHEMBL39047SCHEMBL7213302DTXSID80159702BDBM500041341-(methoxymethyl)-5-methyl-6-phenylsulfanyl-pyrimidine-2,4-dione1-Methoxymethyl-5-methyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione1-(Methoxymethyl)-5-methyl-6-(phenylsulfanyl)pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
136160-17-3- PubChem CID
- 454545
- DTXSID
DTXSID80159702- ChEMBL
CHEMBL39047- Nikkaji
- J522.690B
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 403
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Compound notes
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