4,4-Thiobisbenzenethiol

Inquiry

Molecular Formula:

C12H10S3

Molecular Weight:

250.4028

CAS Number:

19362-77-7

Catalog Number:

19362-77-7

Product Information

Molecular Formula:

C12H10S3

Molecular Weight:

250.4028

Description

Useful monomer and intermediate for dyes.

Synonyms

4,4'-Thiobisbenzenethiol; 4,4'-Thiodibenzenethiol; 19362-77-7; 4,4-Thiobisbenzenethiol; 4-(4-sulfanylphenyl)sulfanylbenzenethiol; JLLMOYPIVVKFHY-UHFFFAOYSA-N

IUPAC Name

4-(4-sulfanylphenyl)sulfanylbenzenethiol

Canonical SMILES

C1=CC(=CC=C1S)SC2=CC=C(C=C2)S

InChI

InChI=1S/C12H10S3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H

InChI Key

JLLMOYPIVVKFHY-UHFFFAOYSA-N

Boiling Point

148ºC / 12mmHg

Melting Point

112-114ºC

Flash Point

>230 °F

Purity

95%

Density

1.3g/cm3

Refractive Index

n20/D 1.531 (lit.)

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P302 + P352 - P305 + P351 + P338

Computed Properties

XLogP3

4.4

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

249.99446384 g/mol

Monoisotopic Mass

249.99446384 g/mol

Topological Polar Surface Area

27.3Å²

Heavy Atom Count

Formal Charge

Complexity

159

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-114105939-A	Transparent colorless liquid high-refractive-index monomer and application thereof	2021-11-25
JP-2022022973-A	Adhesives and adhesive sheets	2021-04-23
CN-112479954-A	Method for reducing water content of polythiol	2020-11-27
CN-112479954-B	Method for reducing water content of polythiol	2020-11-27
CN-112409775-A	Preparation method of novel high-performance rubber material	2020-11-11
JP-2021006632-A	Adhesives and adhesive sheets and how to use them	2020-09-11
JP-2022037478-A	Compounds, compositions and cured products containing the compounds	2020-08-25
JP-2022037479-A	Compounds, compositions and cured products containing the compounds	2020-08-25
US-2022056161-A1	Articles comprising crosslinked polymer network comprising thioether crosslinks and process of making and using same	2020-08-21
EP-3957659-A1	Functionalized polymers	2020-08-19

Literatures

PMID	Publication Date	Title	Journal
21138250	2010-12-01	Influence of the polymer backbone structure on the properties of aromatic ionomers with pendant sulfobenzoyl side chains for use as proton-exchange membranes	ACS applied materials & interfaces
17034226	2006-10-19	Structure and identity of 4,4'-thiobisbenzenethiol self-assembled monolayers	The journal of physical chemistry. B

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Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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