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13239-97-9

13239-97-9 Structure

13239-97-9 Structure
IdentificationBack Directory
[Name]

2-THIOCYTIDINE
[CAS]

13239-97-9
[Synonyms]

2-THIOCYTIDINE
Einecs 236-214-8
Cytidine, 2-thio-
2-THIOCYTIDINE USP/EP/BP
2-THIOCYTIDINE DIHYDRATE
2-THIOCYTIDINE DIHYDRATE CRYSTALLINE 98%
1-(β-D-Ribofuranosyl)-4-aminopyrimidine-2(1H)-thione
4-Amino-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2(1H)-thione
[EINECS(EC#)]

236-214-8
[Molecular Formula]

C9H13N3O4S
[MDL Number]

MFCD00006557
[MOL File]

13239-97-9.mol
[Molecular Weight]

259.28
Chemical PropertiesBack Directory
[Melting point ]

208-209 °C
[Boiling point ]

540.5±60.0 °C(Predicted)
[density ]

1.85±0.1 g/cm3(Predicted)
[storage temp. ]

Hygroscopic, -20°C Freezer, Under inert atmosphere
[solubility ]

Methanol (Slightly), Water (Slightly)
[form ]

Solid
[pka]

12.97±0.70(Predicted)
[color ]

Off-White to Dark Brown
[λmax]

229,276 (pH 0);249 (pH 7);252 (pH 13)
[Stability:]

Hygroscopic
[InChI]

InChI=1S/C9H13N3O4S/c10-5-1-2-12(9(17)11-5)8-7(15)6(14)4(3-13)16-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,17)/t4-,6-,7-,8-/m1/s1
[InChIKey]

RHFUOMFWUGWKKO-XVFCMESISA-N
[SMILES]

OC[C@H]1O[C@@H](N2C=CC(N)=NC2=S)[C@H](O)[C@@H]1O
Hazard InformationBack Directory
[Uses]

2-Thiocytidine (CAS# 13239-97-9) is a cytidine analogue. A profiled metabolite in HFD-induced obese mice after oral administration of Huangjinya green tea extract.
[Definition]

ChEBI: 2-thiocytidine is a member of cytidines.
[storage]

-20°C
Spectrum DetailBack Directory
[Spectrum Detail]

2-THIOCYTIDINE(13239-97-9)1HNMR
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