Name: Name:2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Brand: Angene
SKU: AG01A0P5
Rating: 90 (10 reviews)

2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

CAS No.:

131142-09-1

Catalog Number:

AG01A0P5

Molecular Formula:

C17H15N3O3S

Molecular Weight:

341.3843

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Product Description

Catalog Number:

AG01A0P5

Chemical Name:

2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

CAS Number:

131142-09-1

Molecular Formula:

C17H15N3O3S

Molecular Weight:

341.3843

MDL Number:

MFCD01408775

IUPAC Name:

2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid

InChI:

InChI=1S/C17H15N3O3S/c21-16(22)12-24-17-19-18-15(11-23-14-9-5-2-6-10-14)20(17)13-7-3-1-4-8-13/h1-10H,11-12H2,(H,21,22)

InChI Key:

YPYYQRMPSLYSNZ-UHFFFAOYSA-N

SMILES:

OC(=O)CSc1nnc(n1c1ccccc1)COc1ccccc1

NSC Number:

650834

Properties

Complexity:

401

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

341.083g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

341.385g/mol

Monoisotopic Mass:

341.083g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

103A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

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

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