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42590-97-6,MFCD04973324
Catalog No.:AA003HHW

42590-97-6 | 2-Methoxybenzothioamide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$137.00   $96.00
- +
1g
95%
in stock  
$173.00   $121.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003HHW
Chemical Name:
2-Methoxybenzothioamide
CAS Number:
42590-97-6
Molecular Formula:
C8H9NOS
Molecular Weight:
167.2282
MDL Number:
MFCD04973324
SMILES:
COc1ccccc1C(=S)N
Properties
Properties
 
Form:
Solid  
MP:
110 -113℃  
Storage:
2-8℃;Light sensitive;  

Computed Properties
 
Complexity:
149  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1.4  

Downstream Synthesis Route

[1]Kim,Hong-Seok;Kwon,Il-Cheon;Kim,Oh-Hwoan[JournalofHeterocyclicChemistry,1995,vol.32,#3,p.937-940]

[1]Patent:WO2005/19184,2005,A1.Locationinpatent:Page/Pagecolumn78

[2]JournalofChemicalResearch,2010,p.151-153

[3]CrystalGrowthandDesign,2014,vol.14,p.2753-2762

[4]EuropeanJournalofMedicinalChemistry,2018,vol.149,p.170-181

[5]BioorganicandMedicinalChemistry,2019,vol.27,p.3218-3228

[1]Patent:WO2021/138540,2021,A1.Locationinpatent:Paragraph00112-00114

[2]RSCAdvances,2018,vol.8,p.170-175

[3]Synthesis,2008,p.4012-4018

[4]Chemistry-AEuropeanJournal,2014,vol.20,p.12279-12288

[5]AppliedOrganometallicChemistry,2019,vol.33

[1]Zia,Mehwash;Akhtar,Tashfeen;Hameed,Shahid;Al-Masoudi,NajimA.[ZeitschriftfurNaturforschung,B:ChemicalSciences,2012,vol.67,#7,p.747-758]

Literature

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

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: Reaction and characterization of thioamide dianions derived from N-benzyl thioamides.

Journal: The Journal of organic chemistry 20031031

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