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Home> Hot Product Listed T   > Thymidine,3',3'''-dithiobis[3'-deoxy-
25046-79-1 structure

Thymidine,3',3'''-dithiobis[3'-deoxy-

Iupac Name:N-[2-[4-(azepan-1-ylcarbamoylsulfamoyl)phenyl]ethyl]-5-methyl-1,
2-oxazole-3-carboxamide
CAS No.:25046-79-1
Molecular Weight:449.52388
Molecular Formula:C22H20N4O2S (isomer)
Names and Identifiers
Synonyms

' ,3' 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-[[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]disulfanyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione 3' AC1L9PX5 CHEMBL62684 -deoxy-) -deoxy-] -deoxythymidine dimer -dithiobis(3' -dithiobis[3' -S-ddT dimer -Thio-3' Thymidine, 3'

Inchi
InChI=1/C20H27N5O5S/c1-15-14-18(23-30-15)19(26)21-11-10-16-6-8-17(9-7-16)31(28,29)24-20(27)22-25-12-4-2-3-5-13-25/h6-9,14H,2-5,10-13H2,1H3,(H,21,26)(H2,22,24,27)
Canonical Smiles
CC1=CC(=NO1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NN3CCCCCC3
Properties
Density
1.871
Refractive Index
1.617
Flash Point
196.3°C
Safety and Handling
Safety Statements
Poison by intravenous route. When heated to decomposition it emits very toxic fumes of NOx and SOx. Used as an antidiabetic agent.
Reach Info
Computational chemical data
  • Molecular Weight:449.52388g/mol
  • Molecular Formula:C22H20N4O2S
  • Exact Mass:449.17329
  • Monoisotopic Mass:449.17329
  • Complexity:697
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:142
  • Heavy Atom Count:31
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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