Home Nitriles 3-Amino-5-(methylthio)pyrazole-4-carbonitrile

3-Amino-5-(methylthio)pyrazole-4-carbonitrile

CAS No.:
72760-85-1
Catalog Number:
AG003IW5
Molecular Formula:
C5H6N4S
Molecular Weight:
154.1929
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$120
- +
5g
97%
1 week
United States
$282
- +
Product Description
Catalog Number:
AG003IW5
Chemical Name:
3-Amino-5-(methylthio)pyrazole-4-carbonitrile
CAS Number:
72760-85-1
Molecular Formula:
C5H6N4S
Molecular Weight:
154.1929
MDL Number:
MFCD00052745
IUPAC Name:
5-amino-3-methylsulfanyl-1H-pyrazole-4-carbonitrile
InChI:
InChI=1S/C5H6N4S/c1-10-5-3(2-6)4(7)8-9-5/h1H3,(H3,7,8,9)
InChI Key:
IUVUVQGOSHLPJV-UHFFFAOYSA-N
SMILES:
CSc1[nH]nc(c1C#N)N
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.031g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
154.191g/mol
Monoisotopic Mass:
154.031g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
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