Home Nitriles 4-(Methylthio)benzonitrile

4-(Methylthio)benzonitrile

CAS No.:
21382-98-9
Catalog Number:
AG003K9G
Molecular Formula:
C8H7NS
Molecular Weight:
149.2129
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$13
- +
5g
95%
In Stock USA
United States
$44
- +
25g
95%
In Stock USA
United States
$132
- +
100g
95%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG003K9G
Chemical Name:
4-(Methylthio)benzonitrile
CAS Number:
21382-98-9
Molecular Formula:
C8H7NS
Molecular Weight:
149.2129
MDL Number:
MFCD00010381
IUPAC Name:
4-methylsulfanylbenzonitrile
InChI:
InChI=1S/C8H7NS/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,1H3
InChI Key:
RPVGEEHGKIFQFO-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)C#N
Properties
Complexity:
139  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.03g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.211g/mol
Monoisotopic Mass:
149.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties