sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 2-Thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one

2-Thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one

CAS No.:
34682-99-0
Catalog Number:
AG00CKNV
Molecular Formula:
C5H4N4OS
Molecular Weight:
168.1765
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00CKNV
Chemical Name:
2-Thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one
CAS Number:
34682-99-0
Molecular Formula:
C5H4N4OS
Molecular Weight:
168.1765
MDL Number:
MFCD04110174
IUPAC Name:
2-sulfanylidene-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one
InChI:
InChI=1S/C5H4N4OS/c10-5-8-4(11)7-3-1-2-6-9(3)5/h1-2,6H,(H,8,10,11)
InChI Key:
YSSDVMSKYUWULF-UHFFFAOYSA-N
SMILES:
S=c1[nH]c(=O)n2c([nH]1)ccn2
Properties
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.011g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
168.174g/mol
Monoisotopic Mass:
168.011g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
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