Isopropyl-9H-thioxanthen-9-one

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Molecular Formula:

C16H14OS

Molecular Weight:

254.35

CAS Number:

75081-21-9

Catalog Number:

75081-21-9

Product Information

Molecular Formula:

C16H14OS

Molecular Weight:

254.35

Description

Photoinitiator

Synonyms

ITX; ISOPROPYL-9 H-THIOXANTHEN-9-ONE; ISOPROPYLTHIOXANTHONE; 2-isoPropythioxanthone; ISOPROPYL-9H-THIOXANTHEN-9-ONE, 97%, MIX TURE OF 2-AND 4-ISOMERS; 9H-Thioxanthen-9-one, (1-methylethyl)-; isopropyl-9h-thioxanthen-9-one, mixture of 2- and 4-isomers; Isopropyl

IUPAC Name

1-propan-2-ylthioxanthen-9-one

Canonical SMILES

CC(C)C1=C2C(=CC=C1)SC3=CC=CC=C3C2=O

InChI

InChI=1S/C16H14OS/c1-10(2)11-7-5-9-14-15(11)16(17)12-6-3-4-8-13(12)18-14/h3-10H,1-2H3

InChI Key

YIKSHDNOAYSSPX-UHFFFAOYSA-N

Boiling Point

400.135°C at 760 mmHg

Flash Point

195.8 °F

Purity

95%

Density

1.199 g/cm3

Computed Properties

XLogP3

4.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

254.07653624 g/mol

Monoisotopic Mass

254.07653624 g/mol

Topological Polar Surface Area

42.4Å²

Heavy Atom Count

Formal Charge

Complexity

325

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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Isopropyl-9H-thioxanthen-9-one

Product Information

Computed Properties

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