2,4-Diethyl-9H-thioxanthen-9-one

Name: 2,4-Diethyl-9H-thioxanthen-9-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

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Molecular Formula:

C17H16OS

Molecular Weight:

268

CAS Number:

82799-44-8

Catalog Number:

82799-44-8

Product Information

Molecular Formula:

C17H16OS

Molecular Weight:

268

Description

Photoinitiator

Synonyms

2,4-Diethylthioxanthen-9-one

IUPAC Name

2,4-diethylthioxanthen-9-one

Canonical SMILES

CCC1=CC(=C2C(=C1)C(=O)C3=CC=CC=C3S2)CC

InChI

InChI=1S/C17H16OS/c1-3-11-9-12(4-2)17-14(10-11)16(18)13-7-5-6-8-15(13)19-17/h5-10H,3-4H2,1-2H3

InChI Key

BTJPUDCSZVCXFQ-UHFFFAOYSA-N

Melting Point

66-70 °C

Flash Point

195.8 °F

Purity

98%

Appearance

Light yellow to Yellow to Orange powder to crystal

Safety Information

Precautionary Statement

P262

Computed Properties

XLogP3

5.1

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

268.09218630 g/mol

Monoisotopic Mass

268.09218630 g/mol

Topological Polar Surface Area

42.4Å²

Heavy Atom Count

Formal Charge

Complexity

340

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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2,4-Diethyl-9H-thioxanthen-9-one

Product Information

Safety Information

Computed Properties

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