CAS 25445-77-6 | 4-Phenyl-1,2,3-thiadiazole | CAS Number 25445-77-6

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25445-77-6 | 4-Phenyl-1,2,3-thiadiazole

CAS No: 25445-77-6 Catalog No: AG003LZ2 MDL No:MFCD00087232

Product Description

Catalog Number:

AG003LZ2

Chemical Name:

4-Phenyl-1,2,3-thiadiazole

CAS Number:

25445-77-6

Molecular Formula:

C8H6N2S

Molecular Weight:

162.2116

MDL Number:

MFCD00087232

IUPAC Name:

4-phenylthiadiazole

InChI:

InChI=1S/C8H6N2S/c1-2-4-7(5-3-1)8-6-11-10-9-8/h1-6H

InChI Key:

AWPNFXRMNNPKDW-UHFFFAOYSA-N

SMILES:

c1ccc(cc1)c1csnn1

NSC Number:

111906

Properties

Complexity:

123

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

162.025g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

162.21g/mol

Monoisotopic Mass:

162.025g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
Synthesis, characterization, antiamoebic activity and cytotoxicity of novel 2-(quinolin-8-yloxy) acetohydrazones and their cyclized products (1,2,3-thiadiazole and 1,2,3-selenadiazole derivatives).	European journal of medicinal chemistry 20101201
catena-Poly[[diaqua-(1,2,3-benzothia-diazole-7-carboxyl-ato-κO)copper(II)]-μ-1,2,3-benzothia-diazole-7-carboxyl-ato-κN:O].	Acta crystallographica. Section E, Structure reports online 20091001
The synthesis and biological evaluation of para-substituted phenolic N-alkyl carbamates as endocannabinoid hydrolyzing enzyme inhibitors.	European journal of medicinal chemistry 20090701
Theoretical study of the effect of ethynyl group on the structure and electrical properties of phenyl-thiadiazole systems as precursors of electron-conducting materials.	The Journal of chemical physics 20090621