bis-(4-Methacryloylthiophenyl) sulfide

Inquiry

Molecular Formula:

C20H18O2S3

Molecular Weight:

386.54

CAS Number:

129283-82-5

Catalog Number:

129283-82-5

Product Information

Molecular Formula:

C20H18O2S3

Molecular Weight:

386.54

Description

Bis-(4-Methacryloylthiophenyl) sulfide is a paramount compound prominently employed in the biomedical sector. Its potential unravels therapeutic avenues, targeting recalcitrant cancers inclusive of breast, lung, and prostate.

Synonyms

4,4'-THIODIBENZENEDITHIOL DIMETHACRYLATE; BIS(4-METHACRYLOYLTHIOPHENYL) SULFIDE; S,S-Thiodi-4,1-phenylene bis(thiomethacrylate); S,S'-thiodi-4,1-phenylene bis(thio-methacrylate),

IUPAC Name

S-[4-[4-(2-methylprop-2-enoylsulfanyl)phenyl]sulfanylphenyl] 2-methylprop-2-enethioate

Canonical SMILES

CC(=C)C(=O)SC1=CC=C(C=C1)SC2=CC=C(C=C2)SC(=O)C(=C)C

InChI

InChI=1S/C20H18O2S3/c1-13(2)19(21)24-17-9-5-15(6-10-17)23-16-7-11-18(12-8-16)25-20(22)14(3)4/h5-12H,1,3H2,2,4H3

InChI Key

SPNAQSNLZHHUIJ-UHFFFAOYSA-N

Boiling Point

527.8°C at 760 mmHg

Melting Point

64°C

Purity

>97.0%(LC)

Density

1.26g/cm3

Appearance

White to Light yellow powder to crystal

Storage

0-10°C

Safety Information

Hazards

H302+H312+H332:
Harmful if swallowed.
Harmful in contact with skin.
Harmful if inhaled.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P261:
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352+P312:
IF ON SKIN:
Wash with plenty of soap and water.
Call a POISON CENTER or doctor/physician if you feel unwell.
P304+P340+P312:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Call a POISON CENTER or doctor/physician if you feel unwell.
P337+P313:
If eye irritation persists:
Get medical advice/attention.

Computed Properties

XLogP3

6.5

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

386.04689333 g/mol

Monoisotopic Mass

386.04689333 g/mol

Topological Polar Surface Area

110Å²

Heavy Atom Count

Formal Charge

Complexity

467

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
WO-2021106683-A1	Photosensitive ink composition, cured product, display panel, and method for producing cured product	2019-11-28
WO-2021106806-A1	Photosensitive ink composition, cured product, display panel and method for producing cured product	2019-11-28
WO-2021095326-A1	Precursor resin composition, and optical element	2019-11-14
WO-2021052907-A1	Metal oxide nanoparticles	2019-09-17
WO-2021039783-A1	Curable ink composition, cured material and nanocomposite	2019-08-28
WO-2020219752-A1	Hydrogen-bond enriched ion exchange membranes	2019-04-23
WO-2020189359-A1	Metal particle-containing composition, and conductive adhesive film	2019-03-15
TW-202104496-A	Composition and conductive adhesive film containing metal particles	2019-03-15
WO-2020162323-A1	Curable composition for flexible hard coating	2019-02-06
WO-2020162326-A1	Curable composition for flexible hard coat	2019-02-06

The molarity calculator equation

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

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The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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