Home Sulfos 4-(S-methylsulfonimidoyl)benzonitrile

4-(S-methylsulfonimidoyl)benzonitrile

CAS No.:
1621962-30-8
Catalog Number:
AG01DJ3M
Molecular Formula:
C8H8N2OS
Molecular Weight:
180.2269
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$252
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Product Description
Catalog Number:
AG01DJ3M
Chemical Name:
4-(S-methylsulfonimidoyl)benzonitrile
CAS Number:
1621962-30-8
Molecular Formula:
C8H8N2OS
Molecular Weight:
180.2269
MDL Number:
MFCD31706254
IUPAC Name:
4-(methylsulfonimidoyl)benzonitrile
InChI:
InChI=1S/C8H8N2OS/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-5,10H,1H3
InChI Key:
UUCBANNUDDFVTO-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)S(=O)(=N)C
Properties
Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.036g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.225g/mol
Monoisotopic Mass:
180.036g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties