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Home Carboxes 50451-84-8
50451-84-8,MFCD03407361
Catalog No.:AA00D9JR

50451-84-8 | 5-Chloro-3-methyl-1-benzothiophene-2-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
90%
in stock  
$26.00   $18.00
- +
250mg
90%
in stock  
$36.00   $25.00
- +
1g
95%
in stock  
$100.00   $70.00
- +
5g
95%
in stock  
$444.00   $311.00
- +
25g
95%
in stock  
$1,640.00   $1,148.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00D9JR
Chemical Name:
5-Chloro-3-methyl-1-benzothiophene-2-carboxylic acid
CAS Number:
50451-84-8
Molecular Formula:
C10H7ClO2S
Molecular Weight:
226.6794
MDL Number:
MFCD03407361
SMILES:
Clc1ccc2c(c1)c(C)c(s2)C(=O)O
Properties
Computed Properties
 
Complexity:
246  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
3.8  

Downstream Synthesis Route
1000982-40-0    50451-84-8   
C31H31ClFNO4S 

[1]Shi,Qing;Canada,EmilyJ.;Xu,Yanping;Warshawsky,AlanM.;Etgen,GarretJ.;Broderick,CarolL.;Clutinger,CathleenK.;Irwin,LynnieA.;Laurila,MichaelE.;Montrose-Rafizadeh,Chahrzad;Oldham,BrianA.;Wang,Minmin;Winneroski,LeonardL.;Xie,Chaoyu;York,JeremyS.;Yumibe,NathanP.;Zink,RichardW.;Mantlo,Nathan[BioorganicandMedicinalChemistryLetters,2007,vol.17,#24,p.6744-6749]

[1]CurrentPatentAssignee:SANOFI-WO2008/151211,2008,A1Locationinpatent:Page/Pagecolumn152

[1]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-EP2119719,2009,A1Locationinpatent:Page/Pagecolumn32

[1]CurrentPatentAssignee:MERCK&COINC-WO2011/31628,2011,A1Locationinpatent:Page/Pagecolumn63-64

Literature
Quotation Request
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Additional Info:
SDS
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Tags:50451-84-8 Molecular Formula|50451-84-8 MDL|50451-84-8 SMILES|50451-84-8 5-Chloro-3-methyl-1-benzothiophene-2-carboxylic acid