4-Thiothymidine supplier | CasNO.7236-57-9

Name
Thymidine, 4-thio-
EINECS
CAS No. 7236-57-9
Article Data10
CAS DataBase
Density 1.52g/cm³
Solubility
Melting Point
Formula C₁₀H₁₄N₂O₄S
Boiling Point
Molecular Weight 258.298
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Thiothymidine;NSC 127514;NSC 517760;
PSA 119.57000
LogP -0.14500

4-Thiothymidine Specification

The Thymidine, 4-thio-, with CAS registry number 7236-57-9, has the systematic name of 1-(2-deoxy-β-D-erythro-pentofuranosyl)-5-methyl-4-thioxo-3,4-dihydropyrimidin-2(1H)-one. Besides this, it is also called 4-thiothymidine. And the chemical formula of this chemical is C₁₀H₁₄N₂O₄S.

Physical properties of Thymidine, 4-thio-: (1)ACD/LogP: -0.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.17; (4)ACD/LogD (pH 7.4): -1.32; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.39; (8)ACD/KOC (pH 7.4): 1.22; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 83.33 Å²; (13)Index of Refraction: 1.672; (14)Molar Refractivity: 63.44 cm³; (15)Molar Volume: 169.3 cm³; (16)Polarizability: 25.15×10^-24cm³; (17)Surface Tension: 82.1 dyne/cm; (18)Density: 1.52 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C/1NC(=O)N(\C=C\1C)[C@@H]2O[C@@H]([C@@H](O)C2)CO
(2)InChI: InChI=1/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
(3)InChIKey: AVKSPBJBGGHUMW-XLPZGREQBH
(4)Std. 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
(5)Std. InChIKey: AVKSPBJBGGHUMW-XLPZGREQSA-N

Product Name

Thymidine, 4-thio-

4-Thiothymidine Specification

Related Products

Hot Products