Name: Name:5-(2-phenylpropyl)-1,3,4-oxadiazole-2-thiol
Brand: Angene
SKU: AG019I8W
Rating: 90 (10 reviews)

5-(2-phenylpropyl)-1,3,4-oxadiazole-2-thiol

CAS No.:

568559-38-6

Catalog Number:

AG019I8W

Molecular Formula:

C11H12N2OS

Molecular Weight:

220.2908

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Purity

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Product Description

Catalog Number:

AG019I8W

Chemical Name:

5-(2-phenylpropyl)-1,3,4-oxadiazole-2-thiol

CAS Number:

568559-38-6

Molecular Formula:

C11H12N2OS

Molecular Weight:

220.2908

MDL Number:

MFCD03986063

IUPAC Name:

5-(2-phenylpropyl)-3H-1,3,4-oxadiazole-2-thione

InChI:

InChI=1S/C11H12N2OS/c1-8(9-5-3-2-4-6-9)7-10-12-13-11(15)14-10/h2-6,8H,7H2,1H3,(H,13,15)

InChI Key:

NYRWGKXSCPJOSZ-UHFFFAOYSA-N

SMILES:

Sc1nnc(o1)CC(c1ccccc1)C

Properties

Complexity:

272

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

220.067g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

220.29g/mol

Monoisotopic Mass:

220.067g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
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