sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 5-(4-Fluorophenyl)-4h-1,2,4-triazole-3-thiol

5-(4-Fluorophenyl)-4h-1,2,4-triazole-3-thiol

CAS No.:
114058-91-2
Catalog Number:
AG000AGF
Molecular Formula:
C8H6FN3S
Molecular Weight:
195.2167
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$129
- +
Product Description
Catalog Number:
AG000AGF
Chemical Name:
5-(4-Fluorophenyl)-4h-1,2,4-triazole-3-thiol
CAS Number:
114058-91-2
Molecular Formula:
C8H6FN3S
Molecular Weight:
195.2167
MDL Number:
MFCD02952174
IUPAC Name:
5-(4-fluorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione
InChI:
InChI=1S/C8H6FN3S/c9-6-3-1-5(2-4-6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13)
InChI Key:
YJFTVTOWNFZLSW-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1[nH][nH]c(=S)n1
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.027g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
195.215g/mol
Monoisotopic Mass:
195.027g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Synthesis and biological evaluation of 1,2,4-triazole-3-thione and 1,3,4-oxadiazole-2-thione as antimycobacterial agents. Chemical biology & drug design 20170801
Properties