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4-Thiothymidine

CAT: 0013-GTR19243382-05Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19243382-05Size:500 mg
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Description
4-Thiothymidine is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc.
CAS Number
7236-57-9
Purity
>98% (HPLC)
Smiles
O=C1N ([C@@H]2O[C@H] (CO) [C@@H] (O) C2) C=C (C) C (=S) N1
Molecular Formula
C10H14N2O4S
Molecular Weight
258.29
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Deoxy-4-thiothymidine
CAS Number7236-57-9
PubChem CID3034569
IUPAC Name1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-sulfanylidenepyrimidin-2-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(=O)NC1=S)[C@H]2C[C@@H]([C@H](O2)CO)O
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
Chemical Structure
2D Structure
2D structure of Deoxy-4-thiothymidine
CAS: 7236-57-9
CID: 3034569
Formula: C10H14N2O4S
MW: 258.30
Interactive 3D Structure
Loading 3D structure...
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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