Home Nitriles (4-Chlorophenylthio)acetonitrile

(4-Chlorophenylthio)acetonitrile

CAS No.:
18527-19-0
Catalog Number:
AG003BVF
Molecular Formula:
C8H6ClNS
Molecular Weight:
183.6579
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$39
- +
5g
95%
In Stock USA
United States
$130
- +
Product Description
Catalog Number:
AG003BVF
Chemical Name:
(4-Chlorophenylthio)acetonitrile
CAS Number:
18527-19-0
Molecular Formula:
C8H6ClNS
Molecular Weight:
183.6579
MDL Number:
MFCD00019832
IUPAC Name:
2-(4-chlorophenyl)sulfanylacetonitrile
InChI:
InChI=1S/C8H6ClNS/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,6H2
InChI Key:
WZXBUVDTYAPXOQ-UHFFFAOYSA-N
SMILES:
N#CCSc1ccc(cc1)Cl
Properties
Complexity:
155  
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:
2  
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties