Biphenyl-4,4'-dithiol

Inquiry

Molecular Formula:

C12H10S2

Molecular Weight:

218.34

CAS Number:

6954-27-4

Catalog Number:

6954-27-4

Product Information

Molecular Formula:

C12H10S2

Molecular Weight:

218.34

Description

Biphenyl-4,4'-dithiol (CAS# 6954-27-4) is a useful research chemical.

Synonyms

4-(4-sulfanylphenyl)benzenethiol

IUPAC Name

4-(4-sulfanylphenyl)benzenethiol

Canonical SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)S)S

InChI

InChI=1S/C12H10S2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,13-14H

InChI Key

VRPKUXAKHIINGG-UHFFFAOYSA-N

Boiling Point

366.4 °C at 760 mmHg

Melting Point

165-174 °C

Purity

> 98.0 % (LC)

Density

1.213 g/cm³

Appearance

White to tan solid, powder, crystals, crystalline powder and/or chunks

Storage

-20 °C

LogP

3.93100

Safety Information

Hazards

H302 - H413

Precautionary Statement

P264, P270, P273, P301+P312, P330, and P501

Signal Word

Warning

Computed Properties

XLogP3

4.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

218.02239267 g/mol

Monoisotopic Mass

218.02239267 g/mol

Topological Polar Surface Area

2Å²

Heavy Atom Count

Formal Charge

Complexity

145

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
CN-113736085-A	Photosensitive resin composition for photocuring 3D printing and preparation method and application thereof	2021-09-29
JP-2022038993-A	Method for manufacturing surface treatment agent, water-repellent fiber product and water-repellent fiber product	2020-08-27
US-2022056161-A1	Articles comprising crosslinked polymer network comprising thioether crosslinks and process of making and using same	2020-08-21
CN-111875964-A	High-temperature-resistant conductive wave-absorbing sealing material	2020-08-16
WO-2022012694-A1	Uv-led curable and yellowing resistant coating composition	2020-07-17
WO-2022009882-A1	Polyisocyanate composition, method for producing polyisocyanate composition, two-component resin raw material, coating material, adhesive agent, and resin	2020-07-10
EP-3926016-A1	Icephobic coating and coated articles	2020-06-19
JP-2022008097-A	Icephobic coating and coated articles	2020-06-19
US-2021395560-A1	Icephobic coating and coated articles	2020-06-19
CN-113801406-A	Resin composition	2020-06-12

Literatures

PMID	Publication Date	Title	Journal
22117780	2011-11-25	'Soft and rigid' dithiols and Au nanoparticles grafting on plasma-treated polyethyleneterephthalate	Nanoscale research letters
21711893	2011-04-28	Polytetrafluorethylene-Au as a substrate for surface-enhanced Raman spectroscopy	Nanoscale research letters
16079841	2005-08-04	Measurement of the conductance of single conjugated molecules	Nature
12757731	2003-06-12	Helical templating of oligopeptides by cyclodextrin dimers	Bioorganic & medicinal chemistry

The molarity calculator equation

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The dilution calculator equation

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