Name: Name:Thiophene, 3-(phenylsulfonyl)-
Brand: Angene
SKU: AG001X6S
Rating: 90 (10 reviews)

Thiophene, 3-(phenylsulfonyl)-

CAS No.:

16718-05-1

Catalog Number:

AG001X6S

Molecular Formula:

C10H8O2S2

Molecular Weight:

224.2993

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Product Description

Catalog Number:

AG001X6S

Chemical Name:

Thiophene, 3-(phenylsulfonyl)-

CAS Number:

16718-05-1

Molecular Formula:

C10H8O2S2

Molecular Weight:

224.2993

MDL Number:

MFCD00052136

IUPAC Name:

3-(benzenesulfonyl)thiophene

InChI:

InChI=1S/C10H8O2S2/c11-14(12,10-6-7-13-8-10)9-4-2-1-3-5-9/h1-8H

InChI Key:

LGGLKPFTYFIQSY-UHFFFAOYSA-N

SMILES:

O=S(=O)(c1cscc1)c1ccccc1

Properties

Complexity:

273

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

223.997g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

224.292g/mol

Monoisotopic Mass:

223.997g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
Lead discovery of alpha,beta-unsaturated sulfones from a combinatorial library as inhibitors of inducible VCAM-1 expression.	Bioorganic & medicinal chemistry letters 20030224

Properties