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
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 |
