1-Ethoxymethyl-6-(phenylthio)thymine
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Basic information
- CAS
132774-39-1- Standard SMILES
CCOCn1c(Sc2ccccc2)c(C)c(=O)[nH]c1=O- InChIKey
KXTOSKMEVPRHSY-UHFFFAOYSA-N- Molecular formula
- C14H16N2O3S
- Average molar mass
- 292.36 g/mol
- Monoisotopic mass
- 292.08816355
Names & identifiers
- Preferred name
- 1-Ethoxymethyl-6-(phenylthio)thymine
- IUPAC
- 1-(ethoxymethyl)-5-methyl-6-phenylsulfanylpyrimidine-2,4-dione
- English name
- 1-(Ethoxymethyl)-5-methyl-6-(phenylthio)pyrimidine-2,4(1H,3H)-dione
- Molecular formula
- C14H16N2O3S
- Molecular weight
- 292.35344
Names & synonyms
1-Ethoxymethyl-6-(phenylthio)thymine132774-39-1DTXSID40157764RefChem:230156DTXCID9080255CHEMBL37743BDBM500041511-(ethoxymethyl)-5-methyl-6-phenylsulfanyl-pyrimidine-2,4-dione1-Ethoxymethyl-5-methyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione1-(Ethoxymethyl)-5-methyl-6-(phenylsulfanyl)pyrimidine-2,4(1H,3H)-dioneAids002583Aids-002583
Show more names
1-[Ethoxymethyl]-6-phenylthiothymine1-(Ethoxymethyl)-5-methyl-6-(phenylthio)pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
132774-39-1- PubChem CID
- 452928
- DTXSID
DTXSID40157764- ChEMBL
CHEMBL37743- Nikkaji
- J377.827D
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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