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4785-67-5,MFCD22684985
Catalog No.:AA006YLK

4785-67-5 | Tetrahydrothiophene-3-carboxylic acid 1,1-dioxide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$112.00   $78.00
- +
1g
97%
in stock  
$261.00   $183.00
- +
5g
97%
in stock  
$1,034.00   $724.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA006YLK
Chemical Name:
Tetrahydrothiophene-3-carboxylic acid 1,1-dioxide
CAS Number:
4785-67-5
Molecular Formula:
C5H8O4S
Molecular Weight:
164.1796
MDL Number:
MFCD22684985
SMILES:
OC(=O)C1CCS(=O)(=O)C1
Properties
Computed Properties
 
Complexity:
235  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
1  
XLogP3:
-0.7  

Downstream Synthesis Route

[1]CurrentPatentAssignee:PIRAMALENTERPRISESLIMITED-WO2013/128378,2013,A1Locationinpatent:Page/Pagecolumn109;110

[2]CurrentPatentAssignee:ABBVIEINCLocationinpatent:Page/Pagecolumn28ABBOTTLABORATORIES;ABBOTTLABORATORIES;Carroll,WilliamA.;Dart,MichaelJ.;Frost,JenniferM.;Latshaw,StevenP.;Kolasa,Teodozyj;Li,Tongmei;Peddi,Sridhar;Liu,Bo;Perez-Medrano,Arturo;Patel,Meena;Wang,Xueqing;Nelson,DerekW.

[3]CurrentPatentAssignee:ROCHEHOLDINGAG-US2011/301170,2011,A1Locationinpatent:Page/Pagecolumn24-25

[4]CurrentPatentAssignee:ROCHEHOLDINGAG-US2011/301171,2011,A1Locationinpatent:Page/Pagecolumn19

[5]CurrentPatentAssignee:SANOFI;C.H.BoehringerSohnAG&Co.KG-US2013/252937,2013,A1Locationinpatent:Paragraph0515-0516

[6]CurrentPatentAssignee:SANOFI;C.H.BoehringerSohnAG&Co.KG-WO2013/144097,2013,A1Locationinpatent:Page/Pagecolumn97

[7]CurrentPatentAssignee:SANOFI;C.H.BoehringerSohnAG&Co.KG-WO2013/144098,2013,A1Locationinpatent:Page/Pagecolumn150

[8]CurrentPatentAssignee:ABBVIEINCLocationinpatent:Page/Pagecolumn28ABBOTTLABORATORIES;ABBOTTLABORATORIES;Carroll,WilliamA.;Dart,MichaelJ.;Frost,JenniferM.;Latshaw,StevenP.;Kolasa,Teodozyj;Li,Tongmei;Peddi,Sridhar;Liu,Bo;Perez-Medrano,Arturo;Patel,Meena;Wang,Xueqing;Nelson,DerekW.

[9]CurrentPatentAssignee:JOHNSON&JOHNSONINC;MASSGENERALBRIGHAMINC;BROADINSTITUTE-WO2022/165529,2022,A1Locationinpatent:Page/Pagecolumn374-376

[10]CurrentPatentAssignee:JOHNSON&JOHNSONINC;MASSGENERALBRIGHAMINC;BROADINSTITUTE-WO2022/165529,2022,A1Locationinpatent:Page/Pagecolumn374-376

[1]Locationinpatent:schemeortableWeiss,JesseM.;Jimenez,HermogenesN.;Li,Guiying;April,Myriam;Uberti,MichelleA.;Bacolod,MariaD.;Brodbeck,RobbM.;Doller,Dario[BioorganicandMedicinalChemistryLetters,2011,vol.21,#16,p.4891-4899]

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-US2011/301170,2011,A1CurrentPatentAssignee:ROCHEHOLDINGAG-US2011/301171,2011,A1

[2]CurrentPatentAssignee:PIRAMALENTERPRISESLIMITED-WO2013/128378,2013,A1

[3]CurrentPatentAssignee:JOHNSON&JOHNSONINC;MASSGENERALBRIGHAMINC;BROADINSTITUTE-WO2022/165529,2022,A1

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-US2011/301170,2011,A1CurrentPatentAssignee:ROCHEHOLDINGAG-US2011/301171,2011,A1

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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