1-(2-((TrimethylSilyl)ethoxy)methyl)-6-(phenylthio)thymine
Basic information
- CAS
144410-24-2- Standard SMILES
Cc1c(Sc2ccccc2)n(COCC[Si](C)(C)C)c(=O)[nH]c1=O- InChIKey
XHCKCIDCEXXYHT-UHFFFAOYSA-N- Molecular formula
- C17H24N2O3SSi
- Average molar mass
- 364.5 g/mol
- Monoisotopic mass
- 364.12769034
Names & identifiers
- Preferred name
- 1-(2-((TrimethylSilyl)ethoxy)methyl)-6-(phenylthio)thymine
- IUPAC
- 5-methyl-6-phenylsulfanyl-1-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione
Names & synonyms
1-Me3SiEtOMe-6PhS T1-(2-((TrimethylSilyl)ethoxy)methyl)-6-(phenylthio)thymine144410-24-21-[2-[(TrimethylSilyl)ethoxy]methyl]-6-(phenylthio)thymineCHEMBL356884DTXSID901627025-methyl-6-phenylsulfanyl-1-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione5-Methyl-6-(phenylsulfanyl)-1-{[2-(trimethylsilyl)ethoxy]methyl}pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
144410-24-2- PubChem CID
- 454547
- DTXSID
DTXSID90162702- ChEMBL
CHEMBL356884- Nikkaji
- J522.693G
Properties
Computed structural properties
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 510
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Compound notes
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