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20054-45-9,MFCD00136334
Catalog No.:AA002CRG

20054-45-9 | 2-Mercapto-n-methylbenzamide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$8.00   $6.00
- +
5g
98%
in stock  
$28.00   $20.00
- +
25g
98%
in stock  
$86.00   $61.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA002CRG
Chemical Name:
2-Mercapto-n-methylbenzamide
CAS Number:
20054-45-9
Molecular Formula:
C8H9NOS
Molecular Weight:
167.2282
MDL Number:
MFCD00136334
SMILES:
CNC(=O)c1ccccc1S
Properties
Properties
 
Form:
Solid  
MP:
87-92°C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
149  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
2.1  

Downstream Synthesis Route

[1]Sengar,RaghvendraS.;Miller,JonathanJ.;Basu,Partha[DaltonTransactions,2008,#19,p.2569-2577]

[2]Yu,Tzu-Yu;Pang,Haobo;Cao,Yilin;Gallou,Fabrice;Lipshutz,BruceH.[AngewandteChemie-InternationalEdition,2021,vol.60,#7,p.3708-3713][Angew.Chem.,2021,vol.133,#7,p.3752-3757,6]

[3]CurrentPatentAssignee:PFIZERINC-WO2006/48745,2006,A1Locationinpatent:Page/Pagecolumn27

[4]CurrentPatentAssignee:LUNANPHARMACEUTICALGROUPCOLTD-CN112209861,2021,ALocationinpatent:Paragraph0075-0078

[5]CurrentPatentAssignee:SENJUPHARMACEUTICALCO.,LTD.-EP3127900,2017,A1Locationinpatent:Paragraph0248;0249

[6]Nagy,Peter;Csampai,Antal;Szabo,Denes;Varga,Jeno;Harmat,Veronika;Ruff,Ferenc;Kucsman,Arpad[JournaloftheChemicalSociety.PerkinTransactions2(2001),2001,#3,p.339-349]

[7]Wagner,G.;Richter,P.[Pharmazie,1967,vol.22,p.611-620]

[8]Zhai,Li-Hai;Guo,Li-Hong;Luo,Yang-Hui;Ling,Yang;Sun,Bai-Wang[OrganicProcessResearchandDevelopment,2015,vol.19,#7,p.849-857]

[9]CurrentPatentAssignee:SANFORDBURNHAMPREBYSMEDICALDISCOVERYINSTITUTE;SALKINSTITUTEFORBIOLOGICALSTUDIES;YALEUNIVERSITY-WO2016/33100,2016,A1Locationinpatent:Page/Pagecolumn145

[1]Nagy,Peter;Csampai,Antal;Szabo,Denes;Varga,Jeno;Harmat,Veronika;Ruff,Ferenc;Kucsman,Arpad[JournaloftheChemicalSociety.PerkinTransactions2(2001),2001,#3,p.339-349]

[1]Nagy,Peter;Csampai,Antal;Szabo,Denes;Varga,Jeno;Harmat,Veronika;Ruff,Ferenc;Kucsman,Arpad[JournaloftheChemicalSociety.PerkinTransactions2(2001),2001,#3,p.339-349]

[1]Nagy,Peter;Csampai,Antal;Szabo,Denes;Varga,Jeno;Harmat,Veronika;Ruff,Ferenc;Kucsman,Arpad[JournaloftheChemicalSociety.PerkinTransactions2(2001),2001,#3,p.339-349]

[1]Nagy,Peter;Csampai,Antal;Szabo,Denes;Varga,Jeno;Harmat,Veronika;Ruff,Ferenc;Kucsman,Arpad[JournaloftheChemicalSociety.PerkinTransactions2(2001),2001,#3,p.339-349]

Literature
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SDS
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