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

5-Phenyl-4h-1,2,4-triazole-3-thiol

CAS No.:
3414-94-6
Catalog Number:
AG003MY7
Molecular Formula:
C8H7N3S
Molecular Weight:
177.2263
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
≥ 98% (HPLC)
1 week
United States
$53
- +
5g
≥ 98% (HPLC)
1 week
United States
$67
- +
25g
≥ 98% (HPLC)
1 week
United States
$155
- +
100g
≥ 98% (HPLC)
1 week
United States
$447
- +
Product Description
Catalog Number:
AG003MY7
Chemical Name:
5-Phenyl-4h-1,2,4-triazole-3-thiol
CAS Number:
3414-94-6
Molecular Formula:
C8H7N3S
Molecular Weight:
177.2263
MDL Number:
MFCD00051814
IUPAC Name:
5-phenyl-1,2-dihydro-1,2,4-triazole-3-thione
InChI:
InChI=1S/C8H7N3S/c12-8-9-7(10-11-8)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11,12)
InChI Key:
JRLMMJNORORYPO-UHFFFAOYSA-N
SMILES:
Sc1n[nH]c(n1)c1ccccc1
UNII:
V3LV9TS8XD
NSC Number:
11565
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.036g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
177.225g/mol
Monoisotopic Mass:
177.036g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
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
3-mercapto-1,2,4-triazoles and N-acylated thiosemicarbazides as metallo-β-lactamase inhibitors. Bioorganic & medicinal chemistry letters 20120101
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Hit-to-lead studies: the discovery of potent, orally bioavailable triazolethiol CXCR2 receptor antagonists. Bioorganic & medicinal chemistry letters 20030818
Properties