Name: Name:[1,1':4',1''-Terphenyl]-4-thiol
Brand: Angene
SKU: AG006O35
Rating: 90 (10 reviews)

[1,1':4',1''-Terphenyl]-4-thiol

CAS No.:

90589-98-3

Catalog Number:

AG006O35

Molecular Formula:

C18H14S

Molecular Weight:

262.3688

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Product Description

Catalog Number:

AG006O35

Chemical Name:

[1,1':4',1''-Terphenyl]-4-thiol

CAS Number:

90589-98-3

Molecular Formula:

C18H14S

Molecular Weight:

262.3688

IUPAC Name:

4-(4-phenylphenyl)benzenethiol

InChI:

InChI=1S/C18H14S/c19-18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13,19H

InChI Key:

KDECGGARTQDFEI-UHFFFAOYSA-N

SMILES:

Sc1ccc(cc1)c1ccc(cc1)c1ccccc1

Properties

Complexity:

253

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

262.082g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

262.37g/mol

Monoisotopic Mass:

262.082g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.8

Literature

Title	Journal
Effect of functional group (fluorine) of aromatic thiols on electron transfer at the molecule-metal interface.	Journal of the American Chemical Society 20060125