Name: Name:5-(4-fluorophenyl)-4-(oxolan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG019IXS
Rating: 90 (10 reviews)

5-(4-fluorophenyl)-4-(oxolan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol

CAS No.:

694465-31-1

Catalog Number:

AG019IXS

Molecular Formula:

C13H14FN3OS

Molecular Weight:

279.3332

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Product Description

Catalog Number:

AG019IXS

Chemical Name:

5-(4-fluorophenyl)-4-(oxolan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol

CAS Number:

694465-31-1

Molecular Formula:

C13H14FN3OS

Molecular Weight:

279.3332

MDL Number:

MFCD04638774

IUPAC Name:

3-(4-fluorophenyl)-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C13H14FN3OS/c14-10-5-3-9(4-6-10)12-15-16-13(19)17(12)8-11-2-1-7-18-11/h3-6,11H,1-2,7-8H2,(H,16,19)

InChI Key:

NBOPEFZHTRFOMP-UHFFFAOYSA-N

SMILES:

Fc1ccc(cc1)c1nnc(n1CC1CCCO1)S

Properties

Complexity:

382

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

279.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

279.333g/mol

Monoisotopic Mass:

279.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1

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