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2-Isopropylphenyl isothiocyanate, with the chemical formula C11H11NS, is a colorless to yellow liquid characterized by a pungent odor. It is a versatile chemical intermediate, known for its reactivity with nucleophiles, which allows for the formation of a broad spectrum of products in organic chemistry. 2-ISOPROPYLPHENYL ISOTHIOCYANATE should be handled with care due to its potential to cause irritation to the skin, eyes, and respiratory system.

36176-31-5

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36176-31-5 Usage

Uses

Used in Pharmaceutical Industry:
2-Isopropylphenyl isothiocyanate is used as a key intermediate in the synthesis of various pharmaceutical compounds. Its ability to react with nucleophiles makes it a valuable building block for the development of new drugs and medicinal agents.
Used in Agrochemical Industry:
In the agrochemical sector, 2-Isopropylphenyl isothiocyanate serves as an intermediate for the production of agrochemicals. Its reactivity contributes to the creation of compounds that can be used in pest control and crop protection.
Used in Organic Synthesis:
2-Isopropylphenyl isothiocyanate is utilized as a reagent in organic synthesis, where its capacity to form a wide range of products with nucleophiles is leveraged to create diverse organic compounds for various applications.
Used in Dyes and Pigments Production:
2-ISOPROPYLPHENYL ISOTHIOCYANATE is also employed in the production of dyes and pigments, where its chemical properties contribute to the development of colorants for different industries, such as textiles, plastics, and printing inks.

Check Digit Verification of cas no

The CAS Registry Mumber 36176-31-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,6,1,7 and 6 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 36176-31:
(7*3)+(6*6)+(5*1)+(4*7)+(3*6)+(2*3)+(1*1)=115
115 % 10 = 5
So 36176-31-5 is a valid CAS Registry Number.
InChI:InChI=1/C10H11NS/c1-8(2)9-5-3-4-6-10(9)11-7-12/h3-6,8H,1-2H3

36176-31-5 Well-known Company Product Price

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  • (Code)Product description
  • CAS number
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  • Detail
  • Alfa Aesar

  • (A19448)  2-Isopropylphenyl isothiocyanate, 96%   

  • 36176-31-5

  • 1g

  • 215.0CNY

  • Detail
  • Alfa Aesar

  • (A19448)  2-Isopropylphenyl isothiocyanate, 96%   

  • 36176-31-5

  • 5g

  • 694.0CNY

  • Detail
  • Alfa Aesar

  • (A19448)  2-Isopropylphenyl isothiocyanate, 96%   

  • 36176-31-5

  • 25g

  • 2778.0CNY

  • Detail

36176-31-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-isothiocyanato-2-propan-2-ylbenzene

1.2 Other means of identification

Product number -
Other names 2-ISOPROPYLPHENYL ISOTHIOCYANATE

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:36176-31-5 SDS

36176-31-5Relevant academic research and scientific papers

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

Kai, Hiroyuki,Morioka, Yasuhide,Murashi, Takami,Morita, Koichi,Shinonome, Satomi,Nakazato, Hitoshi,Kawamoto, Keiko,Hanasaki, Kohji,Takahashi, Fumiyo,Mihara, Shin-ichi,Arai, Tohko,Abe, Kohji,Okabe, Hiroshi,Baba, Takahiko,Yoshikawa, Takayoshi,Takenaka, Hideyuki

, p. 4030 - 4034 (2008/02/08)

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.

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

Kai, Hiroyuki,Morioka, Yasuhide,Tomida, Minoru,Takahashi, Tadashi,Hattori, Maki,Hanasaki, Kohji,Koike, Katsumi,Chiba, Hiroki,Shinohara, Shunji,Kanemasa, Toshiyuki,Iwamoto, Yuka,Takahashi, Kohji,Yamaguchi, Yoshitaka,Baba, Takahiko,Yoshikawa, Takayoshi,Takenaka, Hideyuki

, p. 3925 - 3929 (2008/02/11)

Structure-activity relationships and efforts to optimize the pharmacokinetic profile of a class of 2-arylimino-5,6-dihydro-4H-1,3-thiazines as cannabinoid receptor agonists are described. Among the compounds examined, compound 14 showed potent affinity and high selectivity for CB2, and compound 23 showed potent affinities against CB1 and CB2. These compounds displayed oral bioavailability.

MEDICINAL COMPOSITION CONTAINING 1,3-THIAZINE DERIVATIVE

-

Page 13, (2010/02/05)

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

2-IMINO-1,3-THIAZINE DERIVATIVES

-

, (2008/06/13)

A compound of the formula (I) of the present invention selectively binds to a cannabinoid type 2 receptor (CB2R) and exhibits an antagonistic activity or agonistic activity to CB2R. wherein R1 is optionally substituted alkylene; R2 i

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

Wilson, Kenneth J.,Illig, Carl R.,Subasinghe, Nalin,Hoffman, James B.,Jonathan Rudolph,Soll, Richard,Molloy, Christopher J.,Bone, Roger,Green, David,Randall, Troy,Zhang, Marie,Lewandowski, Frank A.,Zhou, Zhao,Sharp, Celia,Maguire, Diane,Grasberger, Bruce,DesJarlais, Renee L.,Spurlino, John

, p. 915 - 918 (2007/10/03)

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.

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