5-(2-Methylsulfonyloxyethyl)-uracil
Basic information
- CAS
37107-76-9- Standard SMILES
CS(=O)(=O)OCCc1c[nH]c(=O)[nH]c1=O- InChIKey
GTAAJKZPDFSKSG-UHFFFAOYSA-N- Molecular formula
- C7H10N2O5S
- Average molar mass
- 234.23 g/mol
- Monoisotopic mass
- 234.0310426
Names & identifiers
- Preferred name
- 5-(2-Methylsulfonyloxyethyl)-uracil
- IUPAC
- 2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl methanesulfonate
- English name
- 5-(2-Methylsulfonyloxyethyl)-uracil
- Molecular formula
- C7H10N2O5S
- Molecular weight
- 234.23
Names & synonyms
37107-76-95-(2-METHYLSULFONYLOXYETHYL)-URACIL2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl methanesulfonateSCHEMBL11149023DTXSID90437225GTAAJKZPDFSKSG-UHFFFAOYSA-N5-(2-methylsulphonyloxyethyl)-uracilDB-2632972-(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)ethyl methanesulfonate2,4(1H,3H)-Pyrimidinedione, 5-[2-[(methylsulfonyl)oxy]ethyl]-
Database identifiers
- CAS
37107-76-9- PubChem CID
- 10243099
- DTXSID
DTXSID90437225
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 406
Physicochemical properties
- Density
- 1.425 · 1.425±0.06 g/cm3(Predicted)
- pka
- 8.69 · 8.69±0.10(Predicted)
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Related reactions
3 records
Compound notes
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