Name: Name:1,3,4-Oxadiazole-2(3H)-thione, 5-(3,4,5-trimethoxyphenyl)-
Brand: Angene
SKU: AG002MPW
Rating: 90 (10 reviews)

1,3,4-Oxadiazole-2(3H)-thione, 5-(3,4,5-trimethoxyphenyl)-

CAS No.:

23269-92-3

Catalog Number:

AG002MPW

Molecular Formula:

C11H12N2O4S

Molecular Weight:

268.2890

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Product Description

Catalog Number:

AG002MPW

Chemical Name:

1,3,4-Oxadiazole-2(3H)-thione, 5-(3,4,5-trimethoxyphenyl)-

CAS Number:

23269-92-3

Molecular Formula:

C11H12N2O4S

Molecular Weight:

268.2890

MDL Number:

MFCD01236999

IUPAC Name:

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

InChI:

InChI=1S/C11H12N2O4S/c1-14-7-4-6(10-12-13-11(18)17-10)5-8(15-2)9(7)16-3/h4-5H,1-3H3,(H,13,18)

InChI Key:

IYUWDYZWKDQESI-UHFFFAOYSA-N

SMILES:

COc1cc(cc(c1OC)OC)c1n[nH]c(=S)o1

Properties

Complexity:

336

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

268.052g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

268.287g/mol

Monoisotopic Mass:

268.052g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

93.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9

Literature

Title	Journal
5-(3,4,5-Trimeth-oxy-phen-yl)-1,3,4-oxadiazole-2(3H)-thione.	Acta crystallographica. Section E, Structure reports online 20100801
Synthesis of novel 5-aryl-2-thio-1,3,4-oxadiazoles and the study of their structure-anti-mycobacterial activities.	Bioorganic & medicinal chemistry 20050815

Properties