Name: Name:4-benzyl-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG019HHH
Rating: 90 (10 reviews)

4-benzyl-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol

CAS No.:

432545-36-3

Catalog Number:

AG019HHH

Molecular Formula:

C13H11N3OS

Molecular Weight:

257.3109

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Purity

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Product Description

Catalog Number:

AG019HHH

Chemical Name:

4-benzyl-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol

CAS Number:

432545-36-3

Molecular Formula:

C13H11N3OS

Molecular Weight:

257.3109

MDL Number:

MFCD02995604

IUPAC Name:

4-benzyl-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C13H11N3OS/c18-13-15-14-12(11-7-4-8-17-11)16(13)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,15,18)

InChI Key:

IIPXKZSQUBMCAG-UHFFFAOYSA-N

SMILES:

Sc1nnc(n1Cc1ccccc1)c1ccco1

Properties

Complexity:

352

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

257.062g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

257.311g/mol

Monoisotopic Mass:

257.062g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
4-Benzyl-3-(2-fur-yl)-1H-1,2,4-triazole-5(4H)-thione hemihydrate.	Acta crystallographica. Section E, Structure reports online 20080601
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