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

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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
100.0-103.0ºC
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
5
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
304.0324785 g/mol
Monoisotopic Mass
304.0324785 g/mol
Topological Polar Surface Area
51.6Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
362
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
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

Calculate

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