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Home> Hot Product Listed T   > Thymidine,3',3'''-dithiobis[3'-deoxy-
1313237-27-2 structure

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

Iupac Name:[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]methanol
CAS No.:1313237-27-2
Molecular Weight:302.348
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=1S/C15H14N2O3S/c1-11-4-6-13(7-5-11)21(19,20)17-9-12(10-18)14-3-2-8-16-15(14)17/h2-9,18H,10H2,1H3
InChkey
WHHWSUUIXAJCIX-UHFFFAOYSA-N
Canonical Smiles
CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2N=CC=C3)CO
Properties
Density
1.871
Flash Point
196.3°C
Computational chemical data
  • Molecular Weight:302.348g/mol
  • Molecular Formula:C22H20N4O2S
  • Compound Is Canonicalized:True
  • Exact Mass:302.073
  • Monoisotopic Mass:302.073
  • Complexity:454
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:80.6A^2
  • Heavy Atom Count:21
  • 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
  • CACTVS Substructure Key Fingerprint: AAADccBzMABAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB/AAAHgQASAAADADh2wY/sd4IEgKg AjJnZHDCgDkxAqAJ2Dg4bJiIPuLAmZGEcAhuwAPI2CewwAAOkAAAAAAAAAAgAAAAAAAAAAAAAAAA AA==
 
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