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

4-bromo-2-(methylsulfanyl)benzonitrile

CAS No.:
1597851-69-8
Catalog Number:
AG01B29W
Molecular Formula:
C8H6BrNS
Molecular Weight:
228.1089
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01B29W
Chemical Name:
4-bromo-2-(methylsulfanyl)benzonitrile
CAS Number:
1597851-69-8
Molecular Formula:
C8H6BrNS
Molecular Weight:
228.1089
MDL Number:
MFCD22488923
IUPAC Name:
4-bromo-2-methylsulfanylbenzonitrile
InChI:
InChI=1S/C8H6BrNS/c1-11-8-4-7(9)3-2-6(8)5-10/h2-4H,1H3
InChI Key:
OQHGMAKAPBUZKK-UHFFFAOYSA-N
SMILES:
CSc1cc(Br)ccc1C#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:
226.94g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.107g/mol
Monoisotopic Mass:
226.94g/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