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Home Fluorides 169685-29-4
169685-29-4,MFCD00052312
Catalog No.:AA0033RD

169685-29-4 | 4-(Trifluoromethoxy)benzenethiol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$46.00   $32.00
- +
5g
97%
in stock  
$226.00   $158.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0033RD
Chemical Name:
4-(Trifluoromethoxy)benzenethiol
CAS Number:
169685-29-4
Molecular Formula:
C7H5F3OS
Molecular Weight:
194.1742
MDL Number:
MFCD00052312
SMILES:
FC(Oc1ccc(cc1)S)(F)F
Properties
Properties
 
BP:
64-66°C 15mm  
Form:
Liquid  
Refractive Index:
1.4745  
Stability:
Air Sensitive/Stench  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
140  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
3.3  

Downstream Synthesis Route

[1]Bosch,Joan;Roca,Tomàs;Catena,Juan-Lorenzo;Farrerons,Carles;Miquel,Ignasi[Synthesis,2000,#5,p.721-725]

169685-29-4    186345-42-6   
{2-2-amino-6-(4-trifluoromethoxy-phenylsulfanyl)-purin-9-yl-ethoxymethyl}-phosphonicacidbis-(2,2,2-trifluoro-ethyl)ester 

[1]Sekiya,Kouichi;Takashima,Hideaki;Ueda,Naoko;Kamiya,Naohiro;Yuasa,Satoshi;Fujimura,Yoshiyuki;Ubasawa,Masaru[JournalofMedicinalChemistry,2002,vol.45,#14,p.3138-3142]

62981-82-2    169685-29-4   
2-amino-6-methyl-5-(4-trifluoromethoxy-phenylsulfanyl)-3,7-dihydro-pyrrolo2,3-<i>d</i>pyrimidin-4-one 

[1]Gangjee,Aleem;Jain,HiteshkumarD.;Kisliuk,RoyL.[BioorganicandMedicinalChemistryLetters,2005,vol.15,#9,p.2225-2230]

[1]Bosch,Joan;Roca,Tomàs;Catena,Juan-Lorenzo;Farrerons,Carles;Miquel,Ignasi[Synthesis,2000,#5,p.721-725]

169685-29-4   
<i>N</i>-3-oxo-5-(4-trifluoromethoxy-phenylsulfanyl)-2,3-dihydro-benzofuran-6-yl-methanesulfonamide 

[1]Bosch,Joan;Roca,Tomàs;Catena,Juan-Lorenzo;Farrerons,Carles;Miquel,Ignasi[Synthesis,2000,#5,p.721-725]

Literature
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SDS
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Tags:169685-29-4 Molecular Formula|169685-29-4 MDL|169685-29-4 SMILES|169685-29-4 4-(Trifluoromethoxy)benzenethiol