Home Halogens Benzonitrile, 4-[(4-chlorophenyl)thio]-

Benzonitrile, 4-[(4-chlorophenyl)thio]-

CAS No.:
96461-81-3
Catalog Number:
AG006QRG
Molecular Formula:
C13H8ClNS
Molecular Weight:
245.7273
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Product Description
Catalog Number:
AG006QRG
Chemical Name:
Benzonitrile, 4-[(4-chlorophenyl)thio]-
CAS Number:
96461-81-3
Molecular Formula:
C13H8ClNS
Molecular Weight:
245.7273
MDL Number:
MFCD11118252
IUPAC Name:
4-(4-chlorophenyl)sulfanylbenzonitrile
InChI:
InChI=1S/C13H8ClNS/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-8H
InChI Key:
CNIPIGLQDBYVPE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)Sc1ccc(cc1)Cl
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.007g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.724g/mol
Monoisotopic Mass:
245.007g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties