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Substance Name: 3'-Azido-3'-deoxy-4-thiothymidine
RN: 108441-45-8
InChIKey: LQGXMSIIZGFDND-XLPZGREQSA-N

Note

  • Shows anti-HIV activity in ATH8 cells.

Molecular Formula

  • C10-H13-N5-O3-S

Molecular Weight

  • 283.311
 
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Names and Synonyms

Name of Substance

  • 3'-Azido-3'-deoxy-4-thiothymidine

Synonym

  • N3ddThdS3

Systematic Name

  • Thymidine, 3'-azido-3'-deoxy-4-thio-

Registry Numbers

CAS Registry Number

  • 108441-45-8

System Generated Number

  • 0108441458

Structure Descriptors

InChI

1S/C10H13N5O3S/c1-5-3-15(10(17)12-9(5)19)8-2-6(13-14-11)7(4-16)18-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,19)/t6-,7+,8+/m0/s1

InChIKey

LQGXMSIIZGFDND-XLPZGREQSA-N

Smiles

n1(c([nH]c(c(c1)C)=S)=O)[C@@H]1O[C@H](CO)[C@H](C1)N=[N+]=[N-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.07 (none)   EXP
Water Solubility 692 mg/L 25 EST
Vapor Pressure 7.58E-19 mm Hg 25 EST
Henry's Law Constant 8.61E-23 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.11E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.