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The chemical "2-{[(E)-(6-oxo-5-prop-2-en-1-ylcyclohexa-2,4-dien-1-ylidene)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile" is a complex organic compound with a molecular formula of C18H18N2O2S. It features a benzothiophene core, which is a sulfur-containing aromatic ring system, and a carbonitrile group, indicating the presence of a cyano group (-CN). The compound also includes a cyclohexadienyl moiety with a prop-2-en-1-yl group and an amino group attached to a (E)-configured double bond. This structure suggests that the compound may have potential applications in pharmaceuticals or as a synthetic intermediate due to its complex and functionalized nature.

5302-68-1

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5302-68-1 Usage

Chemical class

Benzothiophene derivative

Explanation

The compound is based on a benzothiophene core structure, with additional functional groups and side chains attached.

Explanation

A cyclohexa-2,4-dien-1-ylidene side chain is attached to the benzothiophene core, which may influence the compound's properties and reactivity.

Explanation

A carbonitrile group is present in the compound, which is a cyano group (C≡N) bonded to a carbon atom. This functional group can participate in various chemical reactions and may contribute to the compound's biological activity.

Explanation

The compound consists of 23 carbon atoms, 20 hydrogen atoms, 4 nitrogen atoms, 1 oxygen atom, and 1 sulfur atom.

Explanation

The relative molecular mass of the compound is 396.5 grams per mole, which is calculated based on the atomic weights of the constituent elements.

Explanation

The compound may have biological activity due to its structural features, such as the presence of a benzothiophene core, a cyclohexadienylidene side chain, and a carbonitrile functional group. This could make it a candidate for further research and development in the pharmaceutical industry.

Explanation

While the compound has potential applications in pharmaceuticals, additional research and testing are required to determine its exact uses, properties, and safety profile.

Side chain

Cyclohexadienylidene

Functional group

Carbonitrile (CN)

Molecular weight

396.5 g/mol

Potential application

Pharmaceuticals

Further research needed

Confirming specific uses and properties

Check Digit Verification of cas no

The CAS Registry Mumber 5302-68-1 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,3,0 and 2 respectively; the second part has 2 digits, 6 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 5302-68:
(6*5)+(5*3)+(4*0)+(3*2)+(2*6)+(1*8)=71
71 % 10 = 1
So 5302-68-1 is a valid CAS Registry Number.

5302-68-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-[[(E)-(6-oxo-5-prop-2-enylcyclohexa-2,4-dien-1-ylidene)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

1.2 Other means of identification

Product number -
Other names (E)-2-((3-allyl-2-hydroxybenzylidene)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:5302-68-1 SDS

5302-68-1Upstream product

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