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Home Other Building Blocks 4-Methyl-5-phenyl-4h-1,2,4-triazole-3-thiol

4-Methyl-5-phenyl-4h-1,2,4-triazole-3-thiol

CAS No.:
38942-51-7
Catalog Number:
AG0077C0
Molecular Formula:
C9H9N3S
Molecular Weight:
191.2529
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$226
- +
5g
95%
In Stock USA
United States
$671
- +
Product Description
Catalog Number:
AG0077C0
Chemical Name:
4-Methyl-5-phenyl-4h-1,2,4-triazole-3-thiol
CAS Number:
38942-51-7
Molecular Formula:
C9H9N3S
Molecular Weight:
191.2529
MDL Number:
MFCD00662793
IUPAC Name:
4-methyl-3-phenyl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C9H9N3S/c1-12-8(10-11-9(12)13)7-5-3-2-4-6-7/h2-6H,1H3,(H,11,13)
InChI Key:
XGLHJEZLNGXEAZ-UHFFFAOYSA-N
SMILES:
Cn1c(S)nnc1c1ccccc1
Properties
Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.052g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.252g/mol
Monoisotopic Mass:
191.052g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties