6-((3-Ethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine
Basic information
- CAS
137897-65-5- Standard SMILES
CCc1cccc(Sc2c(C)c(=O)[nH]c(=O)n2COCCO)c1- InChIKey
SFEDJTBLPUXZCL-UHFFFAOYSA-N- Molecular formula
- C16H20N2O4S
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.1143783
Names & identifiers
- Preferred name
- 6-((3-Ethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymine
- IUPAC
- 6-(3-ethylphenyl)sulfanyl-1-(2-hydroxyethoxymethyl)-5-methylpyrimidine-2,4-dione
Names & synonyms
3'-EtHEPT137897-65-56-((3-Ethylphenyl)thio)-1-((2-hydroxyethoxy)methyl)thymineCHEMBL4176266-[(3-Ethylphenyl)thio]-1-[(2-hydroxyethoxy)methyl]thymineDTXSID70160362BDBM500083356-(3-Ethyl-phenylsulfanyl)-1-(2-hydroxy-ethoxymethyl)-5-methyl-1H-pyrimidine-2,4-dione6-(3-ethylphenyl)sulfanyl-1-(2-hydroxyethoxymethyl)-5-methyl-pyrimidine-2,4-dione6-[(3-Ethylphenyl)sulfanyl]-1-[(2-hydroxyethoxy)methyl]-5-methylpyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
137897-65-5- PubChem CID
- 453697
- DTXSID
DTXSID70160362- ChEMBL
CHEMBL417626- Nikkaji
- J457.547D
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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