Home Nitriles 2-Sulfanylnicotinonitrile

2-Sulfanylnicotinonitrile

CAS No.:
52505-45-0
Catalog Number:
AG00DCO1
Molecular Formula:
C6H4N2S
Molecular Weight:
136.1744
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$119
- +
5g
96%
In Stock USA
United States
$475
- +
10g
96%
In Stock USA
United States
$900
- +
25g
96%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG00DCO1
Chemical Name:
2-Sulfanylnicotinonitrile
CAS Number:
52505-45-0
Molecular Formula:
C6H4N2S
Molecular Weight:
136.1744
MDL Number:
MFCD07343855
IUPAC Name:
2-sulfanylidene-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C6H4N2S/c7-4-5-2-1-3-8-6(5)9/h1-3H,(H,8,9)
InChI Key:
VKEKYGNDJZUZTL-UHFFFAOYSA-N
SMILES:
N#Cc1cccnc1S
NSC Number:
266131
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.01g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
136.172g/mol
Monoisotopic Mass:
136.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties