4-Isopropyl-9H-thioxanthen-9-one

Basic Information

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CAS Number

83846-86-0

Molecular Formula

C16H14OS

Molecular Weight

254.35 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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CC(C)C1=CC=CC2=C1SC3=CC=CC=C3C2=O

InChI

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

InChIKey

IKVYHNPVKUNCJM-UHFFFAOYSA-N

LogP

4.538100000000004

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

325

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H413 May cause long lasting harmful effects to aquatic life
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

UNII-PAF3CW7TJ8
4-(propan-2-yl)-9H-thioxanthen-9-one
AC-13340
AKOS015961146
9H-Thioxanthen-9-one,4-(1-methylethyl)-
IKVYHNPVKUNCJM-UHFFFAOYSA-N
4-Isopropylthioxantone
AS-55091
EINECS 281-065-4
4-Isopropyl-thioxanthen-9-one
CS-0047347
SCHEMBL108905
4-Isopropyl-9-thioxanthone
4-(1-methylethyl)-9h-thioxanthen-9-one
ISOPROPYL-9H-THIOXANTHEN-9-ONE
PAF3CW7TJ8
83846-86-0
DTXSID80868761
4-Isopropyl-9H-thioxanthen-9-one
9H-Thioxanthen-9-one, 4-(1-methylethyl)-
W15680
Q412376
4-propan-2-ylthioxanthen-9-one
4-Isopropylthioxanthone
MFCD00192247
4-Isopropylthioxanthone, analytical standard
FT-0765167
4-(1-Methylethyl)-9H-thioxanthen-9-one; 4-(1-Methylethyl)-9H-thioxanthen-9-one; 4-Isopropyl-9-thioxanthone; 4-Isopropyl-9H-thioxanthen-9-one; 4-Isopropylthioxanthone
4-Isopropyl-thioxanthene-9-one
NS00060756
4-Isopropylthioxanthone1000µg

MDL Number

MFCD00192247

FAQ

What are the physical and chemical properties of 4-Isopropyl-9H-thioxanthen-9-one (CAS: 83846-86-0)?

4-Isopropyl-9H-thioxanthen-9-one (CAS: 83846-86-0) is a crystalline solid with a molecular weight of approximately 228.28 g/mol. It has a high solubility in organic solvents such as methanol and ethanol. This compound is moderately reactive and can undergo typical organic transformations like nucleophilic substitution and addition reactions.

How is 4-Isopropyl-9H-thioxanthen-9-one (CAS: 83846-86-0) typically synthesized?

4-Isopropyl-9H-thioxanthen-9-one is typically synthesized via the thio-Michael addition of isopropenyl acetaldehyde to 9,10-dihydrophenanthrene-9-one. This process requires controlled conditions and often utilizes a Lewis acid catalyst to enhance selectivity and yield. The reaction is performed under anhydrous conditions to avoid side reactions.

What industries use 4-Isopropyl-9H-thioxanthen-9-one (CAS: 83846-86-0)?

4-Isopropyl-9H-thioxanthen-9-one (CAS: 83846-86-0) finds applications in the pharmaceutical industry for the synthesis of certain drugs. It is also used in the polymer industry, where it can act as a stabilizer or additive. Additionally, it is employed in the development of sensors for detecting specific chemicals and in semiconductor manufacturing for etching processes.

What precautions should be taken when handling 4-Isopropyl-9H-thioxanthen-9-one (CAS: 83846-86-0)?

When handling 4-Isopropyl-9H-thioxanthen-9-one (CAS: 83846-86-0), it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Always work in a well-ventilated area or within a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.