4-Benzoyl 4'-methyldiphenyl sulfide

Inquiry

Molecular Formula:

C20H16OS

Molecular Weight:

304.41

CAS Number:

83846-85-9

Catalog Number:

83846-85-9

Product Information

Molecular Formula:

C20H16OS

Molecular Weight:

304.41

Description

4-Benzoyl 4'-methyldiphenyl sulfide is a medicinal small molecule with anti-inflammatory properties.

Synonyms

4-(4-Methylphenylthio)benzophenone; [4-[(4-METHYLPHENYL)THIO]PHENYL](PHENYL)METHANONE; 4-BENZOYL 4'-METHYLDIPHENYL SULFIDE; 4-BENZOYL-4'-METHYL DIPHENYL SULPHIDE; 4-(P-TOLYLTHIO)BENZOPHENONE; SYNCURE BMS; SPEEDCURE BMDS; [4-[(4-methylphenyl)thio]phenyl]phenyl-m

IUPAC Name

[4-(4-methylphenyl)sulfanylphenyl]-phenylmethanone

Canonical SMILES

CC1=CC=C(C=C1)SC2=CC=C(C=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H16OS/c1-15-7-11-18(12-8-15)22-19-13-9-17(10-14-19)20(21)16-5-3-2-4-6-16/h2-14H,1H3

InChI Key

DBHQYYNDKZDVTN-UHFFFAOYSA-N

Melting Point

83 °C

Purity

>98.0%(GC)

Density

1.2 g/cm3

Appearance

White to Light yellow to Light red powder to crystal

Application

A reagent for high performance polymer research.

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

XLogP3

5.9

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

304.09218630 g/mol

Monoisotopic Mass

304.09218630 g/mol

Topological Polar Surface Area

42.4Å²

Heavy Atom Count

Formal Charge

Complexity

345

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
CN-113528000-A	Radiation curable two-part waterborne coating compositions and coated articles made therefrom	2021-07-09
CN-113388075-A	Composition for 3D printing, 3D printing method and device	2021-06-11
CN-113321925-A	Composition for 3D printing, preparation method thereof, 3D printing method and device	2021-06-10
CN-113292516-A	Multifunctional epoxy vegetable oil-based acrylate and preparation method and application thereof	2021-05-28
CN-113214692-A	High-refraction resin composition and preparation method thereof	2021-05-21
CN-113372744-A	High-refractive-index acrylic optical material and preparation method and application thereof	2021-05-21
CN-113214114-A	Reactive group-blocked diisocyanate for 3D object printing, composition, and method and apparatus for printing 3D object	2021-05-13
CN-112812265-A	Polyurethane acrylate oligomer, preparation method thereof, coating composition and application thereof	2020-12-31
CN-112831021-A	Polyurethane acrylate oligomer, preparation method thereof, coating composition and application thereof	2020-12-31

The molarity calculator equation

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

Mass

Concentration

Volume

Molecular Weight *

Calculate

The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)