Name: Name:4-(2,6-diethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG019HEW
Rating: 90 (10 reviews)

4-(2,6-diethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol

CAS No.:

380442-83-1

Catalog Number:

AG019HEW

Molecular Formula:

C17H18N4S

Molecular Weight:

310.4166

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Product Description

Catalog Number:

AG019HEW

Chemical Name:

4-(2,6-diethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol

CAS Number:

380442-83-1

Molecular Formula:

C17H18N4S

Molecular Weight:

310.4166

MDL Number:

MFCD03476821

IUPAC Name:

4-(2,6-diethylphenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C17H18N4S/c1-3-12-7-5-8-13(4-2)15(12)21-16(19-20-17(21)22)14-9-6-10-18-11-14/h5-11H,3-4H2,1-2H3,(H,20,22)

InChI Key:

OVERFFTYHTZZPI-UHFFFAOYSA-N

SMILES:

CCc1cccc(c1n1c(S)nnc1c1cccnc1)CC

Properties

Complexity:

424

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

310.125g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

310.419g/mol

Monoisotopic Mass:

310.125g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7

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