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27885-58-1,MFCD09152765
Catalog No.:AA00C1ZI

27885-58-1 | 6-Sulfanylnicotinonitrile

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Purity
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Price(USD)
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250mg
96%
in stock  
$16.00   $11.00
- +
5g
96%
in stock  
$306.00   $214.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00C1ZI
Chemical Name:
6-Sulfanylnicotinonitrile
CAS Number:
27885-58-1
Molecular Formula:
C6H4N2S
Molecular Weight:
136.1744
MDL Number:
MFCD09152765
SMILES:
N#Cc1ccc(nc1)S
Properties
Properties
 
Form:
Solid  
MP:
242-244℃  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
241  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
XLogP3:
0.2  

Downstream Synthesis Route

[1]CurrentPatentAssignee:EVONIKINDUSTRIESAG-US1753658,1927,ARaeth[JustusLiebigsAnnalenderChemie,1931,vol.487,p.105,115]

[2]CurrentPatentAssignee:MERCK&COINC-EP2755656,2016,B1Locationinpatent:Paragraph0281

[1]Forrest;Walker[JournaloftheChemicalSociety,1948,p.1939,1942]

27885-58-1   
6-mercapto-nicotinamidine 

[1]Forrest;Walker[JournaloftheChemicalSociety,1948,p.1939,1942]

[1]Romines,KarenR.;Morris,JeanetteK.;Howe,W.Jeffrey;Tomich,PaulK.;Horng,Miao-Miao;Chong,Kong-Teck;Hinshaw,RogerR.;Anderson,DavidJ.;Strohbach,JosephW.;Turner,Steve-R.;Mizsak,SteveA.[JournalofMedicinalChemistry,1996,vol.39,#20,p.4125-4130]

[2]Skulnick,HarveyI.;Johnson,PaulD.;Aristoff,PaulA.;Morris,JeanetteK.;Lovasz,KristineD.;Howe,W.Jeffrey;Watenpaugh,KeithD.;Janakiraman,MusiriN.;Anderson,DavidJ.;Reischer,RobertJ.;Schwartz,TheresaM.;Banitt,LeeS.;Tomich,PaulK.;Lynn,JanetC.;Horng,Miao-Miao;Chong,Kong-Teck;Hinshaw,RogerR.;Dolak,LesterA.;Seest,EricP.;Schwende,FrancisJ.;Rush,BobD.;Howard,GinaM.;Toth,LisaN.;Wilkinson,KarenR.;Kakuk,ThomasJ.;Johnson,CarolW.;Cole,SerenaL.;Zaya,ReneeM.;Zipp,GailL.;Possert,PeggyL.;Dalga,RobertJ.;Zhong,Wei-Zhu;Williams,MartaG.;Romines,KarenR.[JournalofMedicinalChemistry,1997,vol.40,#7,p.1149-1164]

Literature
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SDS
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