CAS 1445-78-9 | Thiophene, 2,5-diphenyl- | CAS Number 1445-78-9

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1445-78-9 | Thiophene, 2,5-diphenyl-

CAS No: 1445-78-9 Catalog No: AG001JN6 MDL No:MFCD00626285

Product Description

Catalog Number:

AG001JN6

Chemical Name:

Thiophene, 2,5-diphenyl-

CAS Number:

1445-78-9

Molecular Formula:

C16H12S

Molecular Weight:

236.3315

MDL Number:

MFCD00626285

IUPAC Name:

2,5-diphenylthiophene

InChI:

InChI=1S/C16H12S/c1-3-7-13(8-4-1)15-11-12-16(17-15)14-9-5-2-6-10-14/h1-12H

InChI Key:

HWKZNRABKQDKTC-UHFFFAOYSA-N

SMILES:

c1ccc(cc1)c1ccc(s1)c1ccccc1

Properties

Complexity:

202

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

236.066g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

236.332g/mol

Monoisotopic Mass:

236.066g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

28.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.9

Literature

Title	Journal
SPECT Imaging Agents for Detecting Cerebral β-Amyloid Plaques.	International journal of molecular imaging 20110101
Design, synthesis, biological evaluation and pharmacokinetics of bis(hydroxyphenyl) substituted azoles, thiophenes, benzenes, and aza-benzenes as potent and selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1).	Journal of medicinal chemistry 20081113
Design, synthesis, and structure-activity relationship of novel thiophene derivatives for beta-amyloid plaque imaging.	Bioorganic & medicinal chemistry letters 20060301