Home Nitro Compounds 26798-33-4
26798-33-4,MFCD00024785
Catalog No.:AA007MO4

26798-33-4 | (4-Nitrophenyl)methanethiol

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250mg
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA007MO4
Chemical Name:
(4-Nitrophenyl)methanethiol
CAS Number:
26798-33-4
Molecular Formula:
C7H7NO2S
Molecular Weight:
169.2010
MDL Number:
MFCD00024785
SMILES:
SCc1ccc(cc1)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
138  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2.2  

Downstream Synthesis Route

[1]Misra,AnupKumar;Agnihotri,Geetanjali[SyntheticCommunications,2004,vol.34,#6,p.1079-1085]

[2]Horn[JournaloftheAmericanChemicalSociety,1921,vol.43,p.2607]

[3]Horn[JournaloftheAmericanChemicalSociety,1921,vol.43,p.2607]

[4]Poggi[AttidellaAccademiaNazionaledeiLincei,ClassediScienzeFisiche,MatematicheeNaturali,Rendiconti,1925,vol.<6>2,p.426]

[5]Price;Twiss[JournaloftheChemicalSociety,1909,vol.95,p.1727]

[6]Meneses,AnaBelen;Antonello,Sabrina;Arevalo,MariaCarmen;Gonzalez,ConcepcionCarmen;Sharma,Jadab;Wallette,AndreaN.;Workentin,MarkS.;Maran,Flavio[Chemistry-AEuropeanJournal,2007,vol.13,#28,p.7983-7995]

[7]CurrentPatentAssignee:SANOFI-US5663164,1997,A

[1]Bandgar,BabasahebP.;Pawar,SanjayB.[JournalofChemicalResearch-PartS,1998,#4,p.212-213]

[2]Price;Twiss[JournaloftheChemicalSociety,1909,vol.95,p.1727]

[3]Bellas,M.etal.[JournalofOrganicChemistry,1967,vol.32,p.2591-2595]

[1]vonSzczepanski,C.etal.[EuropeanJournalofMedicinalChemistry,1977,vol.12,p.279-284]

26798-33-4    72365-19-6    75663-55-7   
4-(2-Fluoro-phenyl)-1-methyl-4-(4-nitro-benzylsulfanyl)-piperidine 

[1]Ong;Profitt;Anderson;Kruse;Wilker;GeyerIII[JournalofMedicinalChemistry,1981,vol.24,#1,p.74-79]

[1]Senga,Keitaro;Ichiba,Misuzu;Kanazawa,Hashime;Nishigaki,Sadao[JournalofHeterocyclicChemistry,1982,vol.19,p.77-80]

Literature

Title: Crystallographic and functional characterization of the fluorodifen-inducible glutathione transferase from Glycine max reveals an active site topography suited for diphenylether herbicides and a novel L-site.

Journal: Journal of molecular biology 20090123

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Tags:26798-33-4 Molecular Formula|26798-33-4 MDL|26798-33-4 SMILES|26798-33-4 (4-Nitrophenyl)methanethiol