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

Basic Information

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CAS Number

75081-21-9

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

Boiling Point

400.135 °C at 760 mmHg

Density

1.199

Flash Point

400.135 °C at 760 mmHg

Refractive Index

1.638

SMILES

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

Synonyms & References

English

Q63396232
1025808-93-8
DTXSID50430818
C91670
1-(1-Methylethyl)-9H-thioxanthen-9-one
YIKSHDNOAYSSPX-UHFFFAOYSA-N
1-propan-2-ylthioxanthen-9-one
2-isopropylthioxanthon
75081-21-9
CS-W012591
Isopropylthioxanthone
1-(PROPAN-2-YL)-9H-THIOXANTHEN-9-ONE
AKOS025404697
SCHEMBL52045
Isopropyl-9H-thioxanthen-9-one
(1-Methylethyl)-9H-thioxanthen-9-one
Isopropylthioxanthone (ITX) mixed isomers
1-(propan-2-yl)-9H-thioxanthen-9-one
9H-Thioxanthen-9-one,(1-methylethyl)
9H-thioxanthen-9-one,1-(1-methylethyl)
DarocurITX
Genocure ITX
H686
ITX-S
Runtecure 1105

MDL Number

MFCD00192247

FAQ

What are the physical and chemical properties of 4-Isopropyl-9H-thioxanthen-9-one (CAS: 75081-21-9)?

4-Isopropyl-9H-thioxanthen-9-one (CAS: 75081-21-9) is a crystalline compound with a molecular weight of approximately 260.32 g/mol. It has limited water solubility and is moderately soluble in organic solvents like acetone and methanol. The compound is known for its reactivity with nucleophiles and electrophiles, making it useful in various synthetic reactions.

How is 4-Isopropyl-9H-thioxanthen-9-one (CAS: 75081-21-9) typically synthesized?

4-Isopropyl-9H-thioxanthen-9-one can be synthesized via the Wittig reaction, where an isopropylidenephosphonite is reacted with 9H-thioxanthen-9-one. This method typically provides good yield and selectivity, although the use of phosphorus-based reagents requires careful handling.

What industries use 4-Isopropyl-9H-thioxanthen-9-one (CAS: 75081-21-9)?

4-Isopropyl-9H-thioxanthen-9-one (CAS: 75081-21-9) is primarily used in the pharmaceutical industry for the synthesis of certain drug intermediates. It also finds applications in the production of polymers and as a sensor material due to its unique optical properties.

What precautions should be taken when handling 4-Isopropyl-9H-thioxanthen-9-one (CAS: 75081-21-9)?

When handling 4-Isopropyl-9H-thioxanthen-9-one (CAS: 75081-21-9), it is important to use appropriate personal protective equipment (PPE), including gloves and safety goggles. Work in a well-ventilated area or a fume hood to avoid exposure to fumes. In case of a spill, follow the manufacturer's safety data sheet (SDS) guidelines for cleanup procedures.