Home Nitriles 2-(3-Bromophenyl)sulfanylacetonitrile

2-(3-Bromophenyl)sulfanylacetonitrile

CAS No.:
103575-45-7
Catalog Number:
AG01FCV2
Molecular Formula:
C8H6BrNS
Molecular Weight:
228.1089
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
1 week
United States
$253
- +
5g
96%
1 week
United States
$684
- +
Product Description
Catalog Number:
AG01FCV2
Chemical Name:
2-(3-Bromophenyl)sulfanylacetonitrile
CAS Number:
103575-45-7
Molecular Formula:
C8H6BrNS
Molecular Weight:
228.1089
MDL Number:
MFCD17225341
IUPAC Name:
2-(3-bromophenyl)sulfanylacetonitrile
InChI:
InChI=1S/C8H6BrNS/c9-7-2-1-3-8(6-7)11-5-4-10/h1-3,6H,5H2
InChI Key:
OHIIDFXWQGFHJA-UHFFFAOYSA-N
SMILES:
N#CCSc1cccc(c1)Br
Properties
Complexity:
163  
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:
2  
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties