Name: Name:1,3,4-Oxadiazole-2(3H)-thione, 5-(1-naphthalenyl)-
Brand: Angene
SKU: AG01AKMQ
Rating: 90 (10 reviews)

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

CAS No.:

116082-89-4

Catalog Number:

AG01AKMQ

Molecular Formula:

C12H8N2OS

Molecular Weight:

228.2697

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Purity

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Product Description

Catalog Number:

AG01AKMQ

Chemical Name:

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

CAS Number:

116082-89-4

Molecular Formula:

C12H8N2OS

Molecular Weight:

228.2697

MDL Number:

MFCD08753497

IUPAC Name:

5-naphthalen-1-yl-3H-1,3,4-oxadiazole-2-thione

InChI:

InChI=1S/C12H8N2OS/c16-12-14-13-11(15-12)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,14,16)

InChI Key:

QPQZHFCLUMQFBO-UHFFFAOYSA-N

SMILES:

Sc1nnc(o1)c1cccc2c1cccc2

Properties

Complexity:

329

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

228.036g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

228.269g/mol

Monoisotopic Mass:

228.036g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3

Literature

Title	Journal
New potent inhibitors of tyrosinase: novel clues to binding of 1,3,4-thiadiazole-2(3H)-thiones, 1,3,4-oxadiazole-2(3H)-thiones, 4-amino-1,2,4-triazole-5(4H)-thiones, and substituted hydrazides to the dicopper active site.	Bioorganic & medicinal chemistry 20100601