Home Nitriles 5-Amino-2-(methylsulfanyl)benzonitrile

5-Amino-2-(methylsulfanyl)benzonitrile

CAS No.:
306980-70-1
Catalog Number:
AG00I5RO
Molecular Formula:
C8H8N2S
Molecular Weight:
164.2275
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$313
- +
5g
98%
In Stock USA
United States
$975
- +
10g
98%
In Stock USA
United States
$1438
- +
Product Description
Catalog Number:
AG00I5RO
Chemical Name:
5-Amino-2-(methylsulfanyl)benzonitrile
CAS Number:
306980-70-1
Molecular Formula:
C8H8N2S
Molecular Weight:
164.2275
MDL Number:
MFCD01315282
IUPAC Name:
5-amino-2-methylsulfanylbenzonitrile
InChI:
InChI=1S/C8H8N2S/c1-11-8-3-2-7(10)4-6(8)5-9/h2-4H,10H2,1H3
InChI Key:
MISXQBNGUWSXCT-UHFFFAOYSA-N
SMILES:
N#Cc1cc(N)ccc1SC
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.041g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.226g/mol
Monoisotopic Mass:
164.041g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties