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2-Thiothymidine

CAT: 0013-GTR19213955-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19213955-05Size:100 mg
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Description
2-Thiothymidine is a thionucleoside analog used in biochemical research. It serves as a tool for studying nucleic acid metabolism and has been investigated in vitro for its potential effects on cell proliferation and as a substrate for enzymatic studies.
CAS Number
28585-51-5
Field of Research
Cell Biology, Molecular Biology
Smiles
S=C1N ([C@@H]2O[C@H] (CO) [C@@H] (O) C2) C=C (C) C (=O) N1
Molecular Formula
C10H14N2O4S
Molecular Weight
258.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Thiothymidine

structure given in first source

CAS Number28585-51-5
PubChem CID3005944
IUPAC Name1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one
Molecular FormulaC10H14N2O4S
Molecular Weight258.30
XLogP-0.6
Topological Polar Surface Area114
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity385
SMILES
CC1=CN(C(=S)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C10H14N2O4S/c1-5-3-12(10(17)11-9(5)15)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
PISWNSOQFZRVJK-XLPZGREQSA-N
Chemical Structure
2D Structure
2D structure of 2-Thiothymidine
CAS: 28585-51-5
CID: 3005944
Formula: C10H14N2O4S
MW: 258.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.30
XLogP3-0.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass258.06742811
Monoisotopic Mass258.06742811
Topological Polar Surface Area114 Ų
Heavy Atom Count17
Formal Charge0
Complexity385
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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