CAS 86-93-1 | 1-Phenyl-1H-Tetrazole-5-Thiol | CAS Number 86-93-1

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86-93-1 | 1-Phenyl-1H-Tetrazole-5-Thiol

CAS No: 86-93-1 Catalog No: AG004I52 MDL No:MFCD00003129

Product Description

Catalog Number:

AG004I52

Chemical Name:

1-Phenyl-1H-Tetrazole-5-Thiol

CAS Number:

86-93-1

Molecular Formula:

C7H6N4S

Molecular Weight:

178.2143

MDL Number:

MFCD00003129

IUPAC Name:

1-phenyl-2H-tetrazole-5-thione

InChI:

InChI=1S/C7H6N4S/c12-7-8-9-10-11(7)6-4-2-1-3-5-6/h1-5H,(H,8,10,12)

InChI Key:

GGZHVNZHFYCSEV-UHFFFAOYSA-N

SMILES:

Sc1nnnn1c1ccccc1

EC Number:

201-710-5

UNII:

1PI3BD9U68

Properties

Complexity:

210

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

178.031g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

178.213g/mol

Monoisotopic Mass:

178.031g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Literature

Title	Journal
The characterization of self-assembled monolayers on copper surfaces by low-temperature plasma mass spectrometry.	Journal of the American Society for Mass Spectrometry 20120701
Development of miracle medicines from sialic acids.	Proceedings of the Japan Academy. Series B, Physical and biological sciences 20110610
Synthesis and anti-viral activity of azolo-adamantanes against influenza A virus.	Bioorganic & medicinal chemistry 20100115
A novel supramolecular tetrahedron assembled from tetranuclear copper(I) cluster molecules via aryl embrace interactions.	Inorganic chemistry 20090119
Polyfunctional tetrazolic thioethers through electrooxidative/Michael-type sequential reactions of 1,2- and 1,4-dihydroxybenzenes with 1-phenyl-5-mercaptotetrazole.	The Journal of organic chemistry 20080404
Hybrid molecules of estrone: new compounds with potential antibacterial, antifungal, and antiproliferative activities.	Bioorganic & medicinal chemistry 20070415
A novel nanogold multilayer constructed by Langmuir-Blodgett and self-assembly techniques.	Journal of colloid and interface science 20050401
Synthesis and in-vitro evaluation of novel low molecular weight thiocarbamates as inhibitors of human leukocyte elastase.	Journal of enzyme inhibition 20010101