Home Other Building Blocks Benzene, [[(difluoromethyl)thio]methyl]-

Benzene, [[(difluoromethyl)thio]methyl]-

CAS No.:
68965-44-6
Catalog Number:
AG005MD6
Molecular Formula:
C8H8F2S
Molecular Weight:
174.2109
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Product Description
Catalog Number:
AG005MD6
Chemical Name:
Benzene, [[(difluoromethyl)thio]methyl]-
CAS Number:
68965-44-6
Molecular Formula:
C8H8F2S
Molecular Weight:
174.2109
MDL Number:
MFCD11505508
IUPAC Name:
difluoromethylsulfanylmethylbenzene
InChI:
InChI=1S/C8H8F2S/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChI Key:
QMOWRNGLGDZHAF-UHFFFAOYSA-N
SMILES:
FC(SCc1ccccc1)F
Properties
Complexity:
100  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.031g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.209g/mol
Monoisotopic Mass:
174.031g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties