Name: Name:3H-1,2,4-Triazole-3-thione, 5-(4-chlorophenyl)-1,2-dihydro-
Brand: Angene
SKU: AG002RF9
Rating: 90 (10 reviews)

3H-1,2,4-Triazole-3-thione, 5-(4-chlorophenyl)-1,2-dihydro-

CAS No.:

26028-65-9

Catalog Number:

AG002RF9

Molecular Formula:

C8H6ClN3S

Molecular Weight:

211.6713

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Purity

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Product Description

Catalog Number:

AG002RF9

Chemical Name:

3H-1,2,4-Triazole-3-thione, 5-(4-chlorophenyl)-1,2-dihydro-

CAS Number:

26028-65-9

Molecular Formula:

C8H6ClN3S

Molecular Weight:

211.6713

MDL Number:

MFCD00174362

IUPAC Name:

5-(4-chlorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione

InChI:

InChI=1S/C8H6ClN3S/c9-6-3-1-5(2-4-6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13)

InChI Key:

NHEHIODVWGKDFV-UHFFFAOYSA-N

SMILES:

Clc1ccc(cc1)c1[nH][nH]c(=S)n1

Properties

Complexity:

246

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

210.997g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

211.667g/mol

Monoisotopic Mass:

210.997g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5

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
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