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Home Other Building Blocks 5-(Trifluoromethyl)-4H-1,2,4-triazole-3-thiol

5-(Trifluoromethyl)-4H-1,2,4-triazole-3-thiol

CAS No.:
68744-64-9
Catalog Number:
AG00FD5A
Molecular Formula:
C3H2F3N3S
Molecular Weight:
169.1283
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$142
- +
1g
95%
1 week
United States
$246
- +
5g
95%
1 week
United States
$663
- +
Product Description
Catalog Number:
AG00FD5A
Chemical Name:
5-(Trifluoromethyl)-4H-1,2,4-triazole-3-thiol
CAS Number:
68744-64-9
Molecular Formula:
C3H2F3N3S
Molecular Weight:
169.1283
MDL Number:
MFCD11205085
IUPAC Name:
5-(trifluoromethyl)-1,2-dihydro-1,2,4-triazole-3-thione
InChI:
InChI=1S/C3H2F3N3S/c4-3(5,6)1-7-2(10)9-8-1/h(H2,7,8,9,10)
InChI Key:
GNXURBGECTYCRJ-UHFFFAOYSA-N
SMILES:
Sc1[nH]nc(n1)C(F)(F)F
EC Number:
272-137-6
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.992g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
169.125g/mol
Monoisotopic Mass:
168.992g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
3-mercapto-1,2,4-triazoles and N-acylated thiosemicarbazides as metallo-β-lactamase inhibitors. Bioorganic & medicinal chemistry letters 20120101
Properties