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Home Fluorides 76180-33-1
76180-33-1,MFCD18824365
Catalog No.:AA005RL9

76180-33-1 | 2-Fluoro-4-(methylthio)aniline

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$16.00   $11.00
- +
250mg
95%
in stock  
$23.00   $16.00
- +
1g
95%
in stock  
$51.00   $36.00
- +
5g
95%
in stock  
$207.00   $145.00
- +
25g
95%
in stock  
$827.00   $579.00
- +
100g
95%
in stock  
$2,589.00   $1,812.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA005RL9
Chemical Name:
2-Fluoro-4-(methylthio)aniline
CAS Number:
76180-33-1
Molecular Formula:
C7H8FNS
Molecular Weight:
157.2085
MDL Number:
MFCD18824365
SMILES:
CSc1ccc(c(c1)F)N
Properties
Properties
 
BP:
250.9±25.0°C at 760 mmHg  
Form:
Liquid  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
110  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2  

Downstream Synthesis Route

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2008/8895,2008,A1Locationinpatent:Page/Pagecolumn171

76180-33-1    1008523-86-1   
3-(2-fluoro-4-methylsulfanyl-phenylamino)-thieno3,2-cpyridine-2-carboxylicacidethylester 

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2008/24724,2008,A1Locationinpatent:Page/Pagecolumn77

821791-59-7    76180-33-1   
4-(2-fluoro-4-methylsulfanylphenylamino)-1-methyl-6-oxo-1,6-dihydro-3-pyridinecarboxylicacid 

[1]Spicer,JulieA.;Rewcastle,GordonW.;Kaufman,MichaelD.;Black,ShannonL.;Plummer,MarkS.;Denny,WilliamA.;QuinIII,John;Shahripour,AurashB.;Barrett,StephenD.;Whitehead,ChristopherE.;Milbank,JaredB.J.;Ohren,JeffreyF.;Gowan,RichardC.;Omer,Charles;Camp,HeidiS.;Esmaeil,Nadia;Moore,Kelley;Sebolt-Leopold,JudithS.;Pryzbranowski,Sally;Merriman,RonaldL.;Ortwine,DanielF.;Warmus,JosephS.;Flamme,CathlinM.;Pavlovsky,AlexanderG.;Tecle,Haile[JournalofMedicinalChemistry,2007,vol.50,#21,p.5090-5102]

[1]CurrentPatentAssignee:PFIZERINC;ASTRAZENECAPLC-WO2007/44084,2007,A2Locationinpatent:Page/Pagecolumn89;90

[2]CurrentPatentAssignee:PFIZERINC-US2005/256123,2005,A1

[1]CurrentPatentAssignee:PFIZERINC;ASTRAZENECAPLC-WO2007/44084,2007,A2Locationinpatent:Page/Pagecolumn65

[2]CurrentPatentAssignee:PFIZERINC-US2005/256123,2005,A1

Literature
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Additional Info:
SDS
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Tags:76180-33-1 Molecular Formula|76180-33-1 MDL|76180-33-1 SMILES|76180-33-1 2-Fluoro-4-(methylthio)aniline