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Home Fluorides 2740-85-4
2740-85-4,MFCD06740512
Catalog No.:AA01A98R

2740-85-4 | 1-(isothiocyanatomethyl)-3-(trifluoromethyl)benzene

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
1 week  
$15.00   $10.00
- +
1g
95%
1 week  
$35.00   $25.00
- +
5g
95%
1 week  
$120.00   $84.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA01A98R
Chemical Name:
1-(isothiocyanatomethyl)-3-(trifluoromethyl)benzene
CAS Number:
2740-85-4
Molecular Formula:
C9H6F3NS
Molecular Weight:
217.2108
MDL Number:
MFCD06740512
SMILES:
S=C=NCc1cccc(c1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
233  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
2  
XLogP3:
4.5  

Downstream Synthesis Route

[1]CurrentPatentAssignee:GYOGYSZERKUTATOINTEZETKFT;SERVIERMONDE-FR2303532,1976,B1[Chem.Abstr.,1977,vol.86,#16440][Chem.Abstr.,1977,vol.86,#16440]

108-02-1    2740-85-4   
N-(3-Trifluormethyl-benzyl)-dithiocarbaminsaeure-(2-dimethylamino-ethylester) 

[1]Tweit,R.C.etal.[JournalofMedicinalChemistry,1969,vol.12,#2,p.343-346]

[1]HelveticaChimicaActa,1966,vol.49,p.807-831

[1]CurrentPatentAssignee:GYOGYSZERKUTATOINTEZETKFT;SERVIERMONDE-FR2303532,1976,B1[Chem.Abstr.,1977,vol.86,#16440][Chem.Abstr.,1977,vol.86,#16440]

[1]Patent:CN109111408,2019,A.Locationinpatent:Paragraph0182-0187

[2]EuropeanJournalofMedicinalChemistry,2015,vol.93,p.501-510

[3]JournalofMedicinalChemistry,2018,vol.61,p.4087-4102

[4]Bioscience,BiotechnologyandBiochemistry,1992,vol.56,p.1062-1065

[5]JournalofHeterocyclicChemistry,2017,vol.54,p.2440-2446

[6]EuropeanJournalofMedicinalChemistry,2018,vol.157,p.1005-1016

[7]Bioorganicandmedicinalchemistryletters,2020,vol.30

Literature
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SDS
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