Home Aldehydes 2-(Trifluoromethylthio)benzaldehyde

2-(Trifluoromethylthio)benzaldehyde

CAS No.:
57830-48-5
Catalog Number:
AG00EEQU
Molecular Formula:
C8H5F3OS
Molecular Weight:
206.1849
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
1 week
United States
$66
- +
1g
1 week
United States
$112
- +
5g
1 week
United States
$259
- +
Product Description
Catalog Number:
AG00EEQU
Chemical Name:
2-(Trifluoromethylthio)benzaldehyde
CAS Number:
57830-48-5
Molecular Formula:
C8H5F3OS
Molecular Weight:
206.1849
MDL Number:
MFCD00236334
IUPAC Name:
2-(trifluoromethylsulfanyl)benzaldehyde
InChI:
InChI=1S/C8H5F3OS/c9-8(10,11)13-7-4-2-1-3-6(7)5-12/h1-5H
InChI Key:
JQSKYLMRBFOYTR-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1SC(F)(F)F
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.001g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.182g/mol
Monoisotopic Mass:
206.001g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties