Home Fluorides 102687-64-9
102687-64-9,MFCD25371534
Catalog No.:AA000813
102687-64-9 | Benzene, [(3,3,3-trifluoropropyl)thio]-
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$189.00   $133.00
- +
1g
98%
in stock  
$372.00   $260.00
- +
5g
98%
in stock  
$840.00   $588.00
- +
25g
98%
in stock  
$3,816.00   $2,672.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA000813
Chemical Name:
Benzene, [(3,3,3-trifluoropropyl)thio]-
CAS Number:
102687-64-9
Molecular Formula:
C9H9F3S
Molecular Weight:
206.2280
MDL Number:
MFCD25371534
IUPAC Name:
3,3,3-trifluoropropylsulfanylbenzene
InChI:
InChI=1S/C9H9F3S/c10-9(11,12)6-7-13-8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key:
ZLBWLAAFXZPFKH-UHFFFAOYSA-N
SMILES:
FC(CCSc1ccccc1)(F)F
Properties
Computed Properties
 
Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.038g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.226g/mol
Monoisotopic Mass:
206.038g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  

Synonyms
 
102687-64-9 
[(3,3,3-Trifluoropropyl)sulfanyl]benzene 
phenyl(3,3,3-trifluoropropyl)sulfane 
Benzene, [(3,3,3-trifluoropropyl)thio]- 
Phenyl 3,3,3-trifluoropropyl sulfide 
ACMC-20m5ns 
SCHEMBL776637 
CTK0G7469 
DTXSID10542300 
ZINC95147697 
3-(Phenyl)thio-1,1,1-trifluoropropane 
Literature
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