Name: Name:5-(2,4-dichlorophenyl)-4-phenyl-2H-1,2,4-triazole-3-thione
Brand: Angene
SKU: AG006HY8
Rating: 90 (10 reviews)

5-(2,4-dichlorophenyl)-4-phenyl-2H-1,2,4-triazole-3-thione

CAS No.:

92151-02-5

Catalog Number:

AG006HY8

Molecular Formula:

C14H9Cl2N3S

Molecular Weight:

322.2124

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Product Description

Catalog Number:

AG006HY8

Chemical Name:

5-(2,4-dichlorophenyl)-4-phenyl-2H-1,2,4-triazole-3-thione

CAS Number:

92151-02-5

Molecular Formula:

C14H9Cl2N3S

Molecular Weight:

322.2124

MDL Number:

MFCD00298568

IUPAC Name:

3-(2,4-dichlorophenyl)-4-phenyl-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C14H9Cl2N3S/c15-9-6-7-11(12(16)8-9)13-17-18-14(20)19(13)10-4-2-1-3-5-10/h1-8H,(H,18,20)

InChI Key:

FZHHEYHBLWXVLF-UHFFFAOYSA-N

SMILES:

Clc1ccc(c(c1)Cl)c1n[nH]c(=S)n1c1ccccc1

Properties

Complexity:

409

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

320.989g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

322.207g/mol

Monoisotopic Mass:

320.989g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.4

Literature

Title	Journal
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