Home Halogens 2-chloro-4-(methylsulfanyl)benzonitrile

2-chloro-4-(methylsulfanyl)benzonitrile

CAS No.:
1002557-03-0
Catalog Number:
AG01A45O
Molecular Formula:
C8H6ClNS
Molecular Weight:
183.6579
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01A45O
Chemical Name:
2-chloro-4-(methylsulfanyl)benzonitrile
CAS Number:
1002557-03-0
Molecular Formula:
C8H6ClNS
Molecular Weight:
183.6579
MDL Number:
MFCD17256842
IUPAC Name:
2-chloro-4-methylsulfanylbenzonitrile
InChI:
InChI=1S/C8H6ClNS/c1-11-7-3-2-6(5-10)8(9)4-7/h2-4H,1H3
InChI Key:
GYENKVXDBQJXND-UHFFFAOYSA-N
SMILES:
CSc1ccc(c(c1)Cl)C#N
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