Home Nitriles 3-Bromo-4-(methylsulfanyl)benzonitrile

3-Bromo-4-(methylsulfanyl)benzonitrile

CAS No.:
1379371-43-3
Catalog Number:
AG00HV5H
Molecular Formula:
C8H6BrNS
Molecular Weight:
228.1089
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$188
- +
5g
95%
In Stock USA
United States
$563
- +
10g
95%
In Stock USA
United States
$938
- +
Product Description
Catalog Number:
AG00HV5H
Chemical Name:
3-Bromo-4-(methylsulfanyl)benzonitrile
CAS Number:
1379371-43-3
Molecular Formula:
C8H6BrNS
Molecular Weight:
228.1089
MDL Number:
MFCD18378500
IUPAC Name:
3-bromo-4-methylsulfanylbenzonitrile
InChI:
InChI=1S/C8H6BrNS/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,1H3
InChI Key:
MESFBLVQIHUKOI-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)Br)SC
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