Home Nitriles 2-((4-Fluorophenyl)thio)acetonitrile

2-((4-Fluorophenyl)thio)acetonitrile

CAS No.:
18527-21-4
Catalog Number:
AG003BVX
Molecular Formula:
C8H6FNS
Molecular Weight:
167.2033
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Product Description
Catalog Number:
AG003BVX
Chemical Name:
2-((4-Fluorophenyl)thio)acetonitrile
CAS Number:
18527-21-4
Molecular Formula:
C8H6FNS
Molecular Weight:
167.2033
MDL Number:
MFCD00179342
IUPAC Name:
2-(4-fluorophenyl)sulfanylacetonitrile
InChI:
InChI=1S/C8H6FNS/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,6H2
InChI Key:
BJFLSPRQCMQITC-UHFFFAOYSA-N
SMILES:
N#CCSc1ccc(cc1)F
Properties
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.02g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.201g/mol
Monoisotopic Mass:
167.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties