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7236-57-9

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7236-57-9 Structure

7236-57-9 Structure
IdentificationBack Directory
[Name]

Thymidine, 4-thio-
[CAS]

7236-57-9
[Synonyms]

4-Thiothymidin
Thymidine, 4-thio-
deoxy-4-thiothymidine
3,4-Dihydro-5-methyl-1-(2-deoxy-β-D-ribofuranosyl)-4-thioxopyrimidin-2(1H)-one
1-(2-deoxy-beta-D-erythro-pentofuranosyl)-5-methyl-4-thioxo-3,4-dihydropyrimidin-2(1H)-one
[Molecular Formula]

C10H14N2O4S
[MDL Number]

MFCD03788707
[MOL File]

7236-57-9.mol
[Molecular Weight]

258.29
Chemical PropertiesBack Directory
[Melting point ]

125-127 °C
[density ]

1.52±0.1 g/cm3(Predicted)
[solubility ]

Water (Slightly, Sonicated)
[form ]

Solid
[pka]

4.88±0.40(Predicted)
[color ]

Light Yellow
[InChI]

InChI=1S/C10H14N2O4S/c1-5-3-12(10(15)11-9(5)17)8-2-6(14)7(4-13)16-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,17)/t6-,7+,8+/m0/s1
[InChIKey]

AVKSPBJBGGHUMW-XLPZGREQSA-N
[SMILES]

OC[C@H]1O[C@@H](N2C=C(C)C(=S)NC2=O)C[C@@H]1O
Spectrum DetailBack Directory
[Spectrum Detail]

Thymidine, 4-thio-(7236-57-9)1HNMR
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