Home Halogens 2-chloro-6-(methylsulfanyl)benzonitrile

2-chloro-6-(methylsulfanyl)benzonitrile

CAS No.:
51271-34-2
Catalog Number:
AG01A575
Molecular Formula:
C8H6ClNS
Molecular Weight:
183.6579
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Product Description
Catalog Number:
AG01A575
Chemical Name:
2-chloro-6-(methylsulfanyl)benzonitrile
CAS Number:
51271-34-2
Molecular Formula:
C8H6ClNS
Molecular Weight:
183.6579
MDL Number:
MFCD16780144
IUPAC Name:
2-chloro-6-methylsulfanylbenzonitrile
InChI:
InChI=1S/C8H6ClNS/c1-11-8-4-2-3-7(9)6(8)5-10/h2-4H,1H3
InChI Key:
PMOQQMPIMGZLDI-UHFFFAOYSA-N
SMILES:
CSc1cccc(c1C#N)Cl
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.991g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.653g/mol
Monoisotopic Mass:
182.991g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties