Name: Name:4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG019J4H
Rating: 90 (10 reviews)

4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol

CAS No.:

727983-29-1

Catalog Number:

AG019J4H

Molecular Formula:

C14H13N3O2S

Molecular Weight:

287.3369

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Product Description

Catalog Number:

AG019J4H

Chemical Name:

4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol

CAS Number:

727983-29-1

Molecular Formula:

C14H13N3O2S

Molecular Weight:

287.3369

MDL Number:

MFCD04620386

IUPAC Name:

4-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C14H13N3O2S/c1-18-11-5-2-4-10(8-11)13-15-16-14(20)17(13)9-12-6-3-7-19-12/h2-8H,9H2,1H3,(H,16,20)

InChI Key:

FOCPCOHDBPAWSX-UHFFFAOYSA-N

SMILES:

COc1cccc(c1)c1nnc(n1Cc1ccco1)S

Properties

Complexity:

402

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

287.073g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

287.337g/mol

Monoisotopic Mass:

287.073g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

82.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2

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