85716-87-6

Basic information

• Product Name: ETHYL 2-ISOTHIOCYANATO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
• Synonyms: AKOS B019362;2-ISOTHIOCYANATO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER;ETHYL 2-ISOTHIOCYANATO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE;ART-CHEM-BB B019362;2-isothiocyanato-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester;ethyl 2-isothiocyanato-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate;IVK/1270156;ZINC00161819
• CAS NO: 85716-87-6
• Molecular Formula: C₁₂H₁₃NO₂S₂
• Molecular Weight: 267.37
• Mol File: 85716-87-6.mol
• Article Data: 11

Chemical Properties

• Melting Point: 45 °C
• Boiling Point: 178 °C
• Flash Point: 222.9°C
• Appearance: /
• Density: 1.33g/cm³
• Vapor Pressure: 4.1E-08mmHg at 25°C
• Refractive Index: 1.652
• CAS DataBase Reference: ETHYL 2-ISOTHIOCYANATO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 2-ISOTHIOCYANATO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE(85716-87-6)
• EPA Substance Registry System: ETHYL 2-ISOTHIOCYANATO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE(85716-87-6)

Safety Data

• Hazard Codes: Xi
• Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl
• HazardClass: IRRITANT
• Hazardous Substances Data: 85716-87-6(Hazardous Substances Data)

Usage

General Description

ETHYL 2-ISOTHIOCYANATO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE is a chemical compound that belongs to the class of isothiocyanates and is commonly used in organic synthesis. It is a yellowish liquid with a strong odor that is soluble in organic solvents. ETHYL 2-ISOTHIOCYANATO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE is known for its potential biological activities, including its antimicrobial, antifungal, and anticancer properties. It is also used in the production of pharmaceuticals and as a reagent in chemical reactions.ETHYL 2-ISOTHIOCYANATO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE should be handled with care and stored in a cool, dry place away from direct sunlight and sources of ignition.

InChI:InChI=1/C12H13NO2S2/c1-2-15-12(14)10-8-5-3-4-6-9(8)17-11(10)13-7-16/h2-6H2,1H3

Upstream product

• 105-56-6 ethyl 2-cyanoacetate 
• 108-94-1 cyclohexanone 
• 4506-71-2 ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate 
• 6160-65-2 1,1'-Thiocarbonyldiimidazole 
• 75-15-0 carbon disulfide 
• 90543-03-6 4,5,6,7-Tetrahydro-2-(triphenylphosphoranylidenamino)benzothiophen-3-carbonsaeure-ethylester 
• 463-71-8 thiophosgene 

Downstream Products

• 105544-64-7 2-(3-Cyclohexyl-thioureido)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester 
• 175599-96-9 2-[3-(2-Chloro-phenyl)-thioureido]-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester 
• 381174-23-8 2-(3-o-tolyl-thioureido)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester 
• 59898-53-2 N¹-(3-carbethoxy-4,5,6,7-tetrahydrobenzothien-2-yl)-N²-benzylthiourea 
• 111423-07-5 N¹-(3-carbethoxy-4,5,6,7-tetrahydrobenzothien-2-yl)-N²-p-chlorophenylthiourea 
• 38201-61-5 3-Methyl-2-thioxo-2,3,5,6,7,8-hexahydro-1H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one 
• 105544-68-1 2-(3,3-Diethyl-thioureido)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester 
• 105544-65-8 2-[3-(4-Carboxy-phenyl)-thioureido]-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester 
• 151094-90-5 2,3,5,6,7,8-hexahydro-3-amino-2-thioxo<1>benzothieno<2,3-d>pyrimidin-4(1H)-one 
• 105544-62-5 N-(3-carboethoxy-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-N-thiourea 
• 109315-56-2 2-[3-(3-Ethoxycarbonyl-4-phenyl-thiophen-2-yl)-thioureido]-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester 
• 105544-70-5 ethyl 2-(4-methylpiperazine-1-carbothioamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate 
• 142465-12-1 2-hydrazinyl-3-phenyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one 

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