Home Nitriles 2-Methylthio-5-nitrobenzonitrile

2-Methylthio-5-nitrobenzonitrile

CAS No.:
74631-35-9
Catalog Number:
AG008PHN
Molecular Formula:
C8H6N2O2S
Molecular Weight:
194.2104
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$50
- +
5g
97%
In Stock USA
United States
$150
- +
25g
97%
In Stock USA
United States
$300
- +
100g
97%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG008PHN
Chemical Name:
2-Methylthio-5-nitrobenzonitrile
CAS Number:
74631-35-9
Molecular Formula:
C8H6N2O2S
Molecular Weight:
194.2104
MDL Number:
MFCD09475845
IUPAC Name:
2-methylsulfanyl-5-nitrobenzonitrile
InChI:
InChI=1S/C8H6N2O2S/c1-13-8-3-2-7(10(11)12)4-6(8)5-9/h2-4H,1H3
InChI Key:
OVIOZRLNTSCJFD-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1SC)[N+](=O)[O-]
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.015g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.208g/mol
Monoisotopic Mass:
194.015g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties