1-chloro-4-propoxy-9H-thioxanthen-9-one

Inquiry

Molecular Formula:

C16H13ClO2S

Molecular Weight:

304.79

CAS Number:

142770-42-1

Catalog Number:

142770-42-1

Product Information

Molecular Formula:

C16H13ClO2S

Molecular Weight:

304.79

Description

1-chloro-4-propoxy-9H-thioxanthen-9-one is a synthetic compound primarily used in the biomedical field as an intermediary reagent for pharmaceuticals. It's crucial for developing drugs aimed at treating various cardiac diseases and neurological disorders.

Synonyms

1-chloro-4-propoxythioxanthenone; SPEEDCURE CPTX; 9H-Thioxanthen-9-one, 1-chloro-4-propoxy-

IUPAC Name

1-chloro-4-propoxythioxanthen-9-one

Canonical SMILES

CCCOC1=C2C(=C(C=C1)Cl)C(=O)C3=CC=CC=C3S2

InChI

InChI=1S/C16H13ClO2S/c1-2-9-19-12-8-7-11(17)14-15(18)10-5-3-4-6-13(10)20-16(12)14/h3-8H,2,9H2,1H3

InChI Key

VKQJCUYEEABXNK-UHFFFAOYSA-N

Boiling Point

467.4±45.0 °C at 760 mmHg

Melting Point

100.0-103.0°C

Purity

97%

Density

1.3±0.1 g/cm3

Appearance

Yellow Powder

Safety Information

Precautionary Statement

P273, P391, and P501

Signal Word

Warning

Computed Properties

XLogP3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

304.0324785 g/mol

Monoisotopic Mass

304.0324785 g/mol

Topological Polar Surface Area

51.6Å²

Heavy Atom Count

Formal Charge

Complexity

362

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

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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1-chloro-4-propoxy-9H-thioxanthen-9-one

Product Information

Safety Information

Computed Properties

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