4,4-Thiobisbenzenethiol

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
148°C / 12mmHg
Melting Point
112-114°C
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
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
249.99446384 g/mol
Monoisotopic Mass
249.99446384 g/mol
Topological Polar Surface Area
27.3Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
159
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
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
The molarity calculator equation

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

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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