1-{(E)-2-(Methylsulfanyl)-1-[2-(pentyloxy)phenyl]vinyl}-1H-imidazole

Basic Information

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CAS Number

130726-68-0

Molecular Formula

C17H22N2OS

Molecular Weight

302.44 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Melting Point

37-39°

Boiling Point

464°Cat760mmHg

Density

1.06

Flash Point

234.4°C

Refractive Index

1.558

SMILES

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CCCCCOC1=CC=CC=C1C(=CSC)N2C=CN=C2

InChI

InChI=1S/C17H22N2OS/c1-3-4-7-12-20-17-9-6-5-8-15(17)16(13-21-2)19-11-10-18-14-19/h5-6,8-11,13-14H,3-4,7,12H2,1-2H3/b16-13+

InChIKey

VWOIKFDZQQLJBJ-DTQAZKPQSA-N

LogP

4.661800000000004

Topological Polar Surface Area

27.05 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

322

Synonyms & References

English

(E)-1-(2-(Methylthio)-1-(2-(pentyloxy)phenyl)vinyl)-1H-imidazole
AKOS040754591
Neticonazol
HY-106541
Neticonazolum [INN-Latin]
(E)-1-(2-(Methylthio)-1-(o-(pentyloxy)phenyl)vinyl)imidazole
CHEBI:135281
starbld0000898
CS-0026017
MS-24367
SCHEMBL150662
EX-A5742
A888679
130726-68-0
Neticonazole [INN]
Neticonazolum
1H-Imidazole, 1-[(1E)-2-(methylthio)-1-[2-(pentyloxy)phenyl]ethenyl]-
CAS-130726-68-0
Neticonazole
Atolant
NCGC00249929-01
Q6999726
DTXCID5031422
1-[(E)-2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole
VWOIKFDZQQLJBJ-DTQAZKPQSA-N
Tox21_113705
1-{(E)-2-(methylthio)-1-[2-(pentyloxy)phenyl]vinyl}-1H-imidazole
NETICONAZOLE [WHO-DD]
Neticonazol [INN-Spanish]
UNII-KVL61ZF9UO
KVL61ZF9UO

MDL Number

MFCD00868954

FAQ

What are the physical and chemical properties of 1-{(E)-2-(Methylsulfanyl)-1-[2-(pentyloxy)phenyl]vinyl}-1H-imidazole (CAS: 130726-68-0)?

1-{(E)-2-(Methylsulfanyl)-1-[2-(pentyloxy)phenyl]vinyl}-1H-imidazole is a solid compound with a molecular weight of approximately 413.5 g/mol. It has a moderate solubility in organic solvents like methanol and ethanol but is poorly soluble in water. The compound exhibits basic properties due to the imidazole ring, making it slightly basic in aqueous solutions. It is not highly reactive but can undergo substitution reactions under certain conditions.

How is 1-{(E)-2-(Methylsulfanyl)-1-[2-(pentyloxy)phenyl]vinyl}-1H-imidazole (CAS: 130726-68-0) typically synthesized?

1-{(E)-2-(Methylsulfanyl)-1-[2-(pentyloxy)phenyl]vinyl}-1H-imidazole is synthesized by reacting 2-(pentyloxy)phenylacetylene with 2-methylthiopropanol followed by imidization. This involves a multi-step process, including alkyne coupling and subsequent imidization with an appropriate imidizing agent. The reaction is typically carried out under mild conditions with a catalyst to ensure selectivity and high yield.

What industries use 1-{(E)-2-(Methylsulfanyl)-1-[2-(pentyloxy)phenyl]vinyl}-1H-imidazole (CAS: 130726-68-0)?

1-{(E)-2-(Methylsulfanyl)-1-[2-(pentyloxy)phenyl]vinyl}-1H-imidazole is used in the pharmaceutical industry for its potential as a drug candidate. It is also explored in the sensor industry due to its chemical reactivity and selectivity. Additionally, it shows promise in environmental sensing applications, particularly in detecting specific gases and chemicals.

What precautions should be taken when handling 1-{(E)-2-(Methylsulfanyl)-1-[2-(pentyloxy)phenyl]vinyl}-1H-imidazole (CAS: 130726-68-0)?

When handling 1-{(E)-2-(Methylsulfanyl)-1-[2-(pentyloxy)phenyl]vinyl}-1H-imidazole, it is important to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Ensure the work is conducted in a well-ventilated area or a fume hood to avoid inhalation of any vapors. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.