S-[4-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]but-3-ynyl] benzenecarbothioate

Modify Date: 2025-09-01 09:10:56

S-[4-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]but-3-ynyl] benzenecarbothioate Structure
S-[4-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]but-3-ynyl] benzenecarbothioate structure
Common Name S-[4-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]but-3-ynyl] benzenecarbothioate
CAS Number 647852-33-3 Molecular Weight 416.44800
Density N/A Boiling Point N/A
Molecular Formula C20H20N2O6S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name S-[4-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]but-3-ynyl] benzenecarbothioate

 Chemical & Physical Properties

Molecular Formula C20H20N2O6S
Molecular Weight 416.44800
Exact Mass 416.10400
PSA 147.18000
LogP 0.90480
InChIKey QICDCRSTUMFREA-GVDBMIGSSA-N
SMILES O=C(SCCC#Cc1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O)c1ccccc1

 Synthetic Route

~95%

S-[4-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]but-3-ynyl] benzenecarbothioate Structure

S-[4-[1-[(2R,4S...

CAS#:647852-33-3

Literature: Held, Heike A.; Roychowdhury, Abhijit; Benner, Steven A. Nucleosides, Nucleotides and Nucleic Acids, 2003 , vol. 22, # 4 p. 391 - 404

~78%

S-[4-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]but-3-ynyl] benzenecarbothioate Structure

S-[4-[1-[(2R,4S...

CAS#:647852-33-3

Literature: Prestinari, Cora; Richert, Clemens Chemical Communications, 2011 , vol. 47, # 38 p. 10824 - 10826

~%

S-[4-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]but-3-ynyl] benzenecarbothioate Structure

S-[4-[1-[(2R,4S...

CAS#:647852-33-3

Literature: Held, Heike A.; Roychowdhury, Abhijit; Benner, Steven A. Nucleosides, Nucleotides and Nucleic Acids, 2003 , vol. 22, # 4 p. 391 - 404

~%

S-[4-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]but-3-ynyl] benzenecarbothioate Structure

S-[4-[1-[(2R,4S...

CAS#:647852-33-3

Literature: Prestinari, Cora; Richert, Clemens Chemical Communications, 2011 , vol. 47, # 38 p. 10824 - 10826

~%

S-[4-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]but-3-ynyl] benzenecarbothioate Structure

S-[4-[1-[(2R,4S...

CAS#:647852-33-3

Literature: Prestinari, Cora; Richert, Clemens Chemical Communications, 2011 , vol. 47, # 38 p. 10824 - 10826

~%

S-[4-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]but-3-ynyl] benzenecarbothioate Structure

S-[4-[1-[(2R,4S...

CAS#:647852-33-3

Literature: Prestinari, Cora; Richert, Clemens Chemical Communications, 2011 , vol. 47, # 38 p. 10824 - 10826
The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.