36176-31-5

Basic information

• Product Name: 2-ISOPROPYLPHENYL ISOTHIOCYANATE
• Synonyms: 1-Isopropyl-2-isothiocyanatobenzene;2-ISOPROPYLPHENYL ISOTHIOCYANATE;2-Isopropylphenyl isothiocyanate, 95+%;1-Isopropyl-2-isothiocyanatobenzene, 1-Isothiocyanato-2-(prop-2-yl)benzene;2-Isopropylphenyl isothiocyate, 98%
• CAS NO: 36176-31-5
• Molecular Formula: C₁₀H₁₁NS
• Molecular Weight: 177.27
• EINECS: -0
• Mol File: 36176-31-5.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 131 °C
• Flash Point: 131-132°C/10mm
• Appearance: UN 2810
• Density: 1.05
• Vapor Pressure: 0.013mmHg at 25°C
• Refractive Index: 1.6050
• Sensitive: Moisture Sensitive
• BRN: 2717112
• CAS DataBase Reference: 2-ISOPROPYLPHENYL ISOTHIOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-ISOPROPYLPHENYL ISOTHIOCYANATE(36176-31-5)
• EPA Substance Registry System: 2-ISOPROPYLPHENYL ISOTHIOCYANATE(36176-31-5)

Safety Data

• Hazard Codes: Xn:Harmful
• Statements: 23/24/25
• Safety Statements: 23-36/37/39-45
• RIDADR: 2810
• HazardClass: 8
• PackingGroup: III
• Hazardous Substances Data: 36176-31-5(Hazardous Substances Data)

Usage

General Description

2-Isopropylphenyl isothiocyanate is a chemical compound with the formula C11H11NS. It is a colorless to yellow liquid with a pungent odor. It is primarily used as an intermediate in the synthesis of pharmaceutical compounds, agrochemicals, and other organic chemicals. It is also used as a reagent in organic synthesis and in the production of dyes and pigments. 2-ISOPROPYLPHENYL ISOTHIOCYANATE is known for its ability to react with nucleophiles to form a wide range of products, making it a versatile building block in organic chemistry. It should be handled with caution as it can cause irritation to the skin, eyes, and respiratory system upon exposure.

InChI:InChI=1/C10H11NS/c1-8(2)9-5-3-4-6-10(9)11-7-12/h3-6,8H,1-2H3

Upstream product

• 463-71-8 thiophosgene 
• 102439-84-9 2-isopropyl-aniline; hydrochloride 
• 643-28-7 2-isopropylaniline 
• 541-41-3 chloroformic acid ethyl ester 

Downstream Products

• 25343-32-2 1-(2-isopropylphenyl)thiourea 
• 196794-89-5 3-[3-(2-isopropylphenyl)-1-ethyl-thioureido]propionic acid 
• 914638-59-8 6-chloro-2-hydroxy-3-[3-(2-isopropyl-phenyl)-thioureido]-N,N-dimethyl-benzenesulfonamide 
• 473906-06-8 C₁₃H₂₀N₂SO 
• 330479-76-0 N-(2-isopropylphenyl)-N'-(3-hydroxy-2,2-dimethyl)propylthiourea 
• 102389-19-5 2-(2-isopropylphenyl)imino-5,5-dimethyl-1,3-thiazine 

Relevant articles and documents

2-Arylimino-5,6-dihydro-4H-1,3-thiazines as a new class of cannabinoid receptor agonists. Part 1: Discovery of CB2 receptor selective compounds

2-Arylimino-5,6-dihydro-4H-1,3-thiazines have been identified as a novel class of cannabinoid agonists. A lead structure with moderate activity was discovered through a high throughput screening assay. Structure-activity relationships led to the discovery of potent agonists of CB2 receptor. The most potent compound 13 displays Ki values of >5000 and 9 nM to CB1 and CB2 receptors, respectively.

MEDICINAL COMPOSITION CONTAINING 1,3-THIAZINE DERIVATIVE

A compound of the formula (I) having a binding activity to the cannabinoid type 2 receptor: wherein R1 is optionally substituted heterocyclic group or the like; R2 and R2 each is independently hydrogen or the like; m is an

Synthesis of thiophene-2-carboxamidines containing 2-aminothiazoles and their biological evaluation as urokinase inhibitors

The serine protease urokinase (uPa) has been implicated in the progression of both breast and prostate cancer. Utilizing structure based design, the synthesis of a series of substituted 4-[2-amino-1,3-thiazolyl]-thiophene-2-carboxamidines is described. Further optimization of this series by substitution of the terminal amine yielded urokinase inhibitors with excellent activities.