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TETRAHYDROTHIOPYRAN-4-CARBONITRILE, with the molecular formula C6H9NS, is a heterocyclic compound characterized by a ring structure that includes five carbon atoms, one sulfur atom, and one nitrogen atom. It is recognized for its role as a versatile building block in the synthesis of a variety of compounds, particularly in the pharmaceutical, agrochemical, and fine chemical industries. TETRAHYDROTHIOPYRAN-4-CARBONITRILE's unique chemical structure and reactivity contribute to its value in organic synthesis, facilitating the creation of compounds with significant applications.

195503-40-3

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195503-40-3 Usage

Uses

Used in Pharmaceutical Industry:
TETRAHYDROTHIOPYRAN-4-CARBONITRILE is used as a key intermediate in the synthesis of pharmaceuticals for its ability to contribute to the development of compounds with potential therapeutic effects. Its incorporation in drug molecules can enhance their pharmacological properties, making it an essential component in the design and production of new medications.
Used in Agrochemical Industry:
In the agrochemical sector, TETRAHYDROTHIOPYRAN-4-CARBONITRILE is utilized as a precursor in the creation of agrochemicals, such as pesticides and herbicides. Its chemical properties allow for the production of effective compounds that can protect crops from various pests and diseases, thereby increasing agricultural productivity.
Used in Fine Chemicals Industry:
TETRAHYDROTHIOPYRAN-4-CARBONITRILE also serves as a vital component in the synthesis of fine chemicals, which are high-purity chemicals used in various applications, including research, chemical analysis, and the production of specialty products. Its presence in these compounds can improve their performance and quality, catering to the specific requirements of the fine chemicals market.
Used in Organic Synthesis:
As an intermediate in organic synthesis, TETRAHYDROTHIOPYRAN-4-CARBONITRILE is used for the production of a wide range of organic compounds. Its reactivity and structural features make it suitable for various chemical reactions, facilitating the synthesis of complex molecules with diverse applications in different industries.
Used in Biological Activity Research:
TETRAHYDROTHIOPYRAN-4-CARBONITRILE has been studied for its potential biological activities, such as antitumor and antibacterial properties. Its presence in compounds can contribute to their effectiveness in combating cancer cells or inhibiting bacterial growth, making it a promising candidate for further research and development in the field of medicinal chemistry.

Check Digit Verification of cas no

The CAS Registry Mumber 195503-40-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,9,5,5,0 and 3 respectively; the second part has 2 digits, 4 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 195503-40:
(8*1)+(7*9)+(6*5)+(5*5)+(4*0)+(3*3)+(2*4)+(1*0)=143
143 % 10 = 3
So 195503-40-3 is a valid CAS Registry Number.
InChI:InChI=1/C6H9NS/c7-5-6-1-3-8-4-2-6/h6H,1-4H2

195503-40-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name thiane-4-carbonitrile

1.2 Other means of identification

Product number -
Other names tetrahydro-thiopyran-4-carbonitrilre

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:195503-40-3 SDS

195503-40-3Relevant academic research and scientific papers

Expansion of substrate scope for nitroxyl radical/copper-catalyzed aerobic oxidation of primary alcohols: A guideline for catalyst selection

Iwabuchi, Yoshiharu,Nagasawa, Shota,Sasaki, Ryota,Sasano, Yusuke,Yamaichi, Aoto

, p. 488 - 497 (2021/05/27)

Four distinctive sets of optimum nitroxyl radical/copper salt/additive catalyst combinations have been identified for accommodating the aerobic oxidation of various types of primary alcohols to their corresponding aldehydes. Interestingly, less nucleophilic catalysts exhibited higher catalytic activities for the oxidation of particular primary allylic and propargylic alcohols to give α,β-unsaturated aldehydes that function as competent Michael acceptors. The optimum conditions identified herein were successful in the oxidation of various types of primary alcohols, including unprotected amino alcohols and divalent-sulfur-containing alcohols in good-to-high yields. Moreover, N-protected alaninol, an inefficient substrate in the nitroxyl radical/ copper-catalyzed aerobic oxidation, was oxidized in good yield. On the basis of the optimization results, a guideline for catalyst selection has been established.

SULFONYL-SUBSTITUTED BICYCLIC COMPOUND WHICH ACTS AS ROR INHIBITOR

-

Paragraph 0595; 0596, (2020/08/16)

Provided is a sulfonyl-substituted bicyclic compound (A) which acts as a RORγ inhibitor, said compound has good RORγ inhibitory activity and is expected to be used for treating diseases mediated by a RORγ receptor in mammals.

IMIDAZOPIPERAZINONE INHIBITORS OF TRANSCRIPTION ACTIVATING PROTEINS

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Paragraph 0751; 0752, (2019/10/20)

The present disclosure relates to heterocyclic compounds and methods which may be useful as inhibitors of transcription activating proteins such as CBP and P300 for the treatment or prevention of diseases such as proliferative diseases, inflammatory disorders, autoimmune diseases, and fibrotic diseases.

COMPOUNDS AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS

-

Paragraph 257; 258, (2018/07/31)

Provided are certain Bcl-2 inhibitors, pharmaceutical compositions thereof, and methods of use thereof.

Substituted imidazo[1,2-b]pyridazines as protein kinase inhibitors

-

Page/Page column 131; 132, (2016/09/13)

The present invention provides protein kinase having one of the following structures (I), (II) or (III): or a stereoisomer, prodrug, tautomer or pharmaceutically acceptable salt thereof, wherein R, R1, R2 and X are as defined herein. Compositions and methods for using the same in the treatment of cancer, autoimmune, inflammatory and other Pim kinase-associated conditions are also disclosed.

HETEROCYCLIC PROTEIN KINASE INHIBITORS

-

Paragraph 00299; 00300, (2013/03/26)

The present invention provides protein kinase having one of the following structures (I), (II) or (III): or a stereoisomer, prodrug, tautomer or pharmaceutically acceptable salt thereof, wherein R, R1, R2 and X are as defined herein. Compositions and methods for using the same in the treatment of cancer, autoimmune, inflammatory and other Pim kinase-associated conditions are also disclosed.

Discovery of potent and orally bioavailable heterocycle-based cannabinoid CB1 receptor agonists

Kiyoi, Takao,Adam, Julia M.,Clark, John K.,Davies, Keneth,Easson, Anna-Marie,Edwards, Darren,Feilden, Helen,Fields, Ruth,Francis, Stuart,Jeremiah, Fiona,McArthur, Duncan,Morrison, Angus J.,Prosser, Alan,Ratcliffe, Paul D.,Schulz, Jurgen,Wishart, Grant,Baker, James,Campbell, Robert,Cottney, Jean E.,Deehan, Maureen,Epemolu, Ola,Evans, Louise

scheme or table, p. 1748 - 1753 (2011/05/05)

Novel 3-(1H-indol-3-yl)-1,2,4-oxadiazoles and -thiadiazoles were synthesized and found to be potent CB1 cannabinoid receptor agonists. The oral bioavailability of these compounds could be dramatically improved by optimization studies of the side chains attached to the indole and oxadiazole cores, leading to identification of a CB1 receptor agonist with good oral activity in a range of preclinical models of antinociception and antihyperalgesia.

HETEROCYCLIC COMPOUND

-

Page/Page column 49, (2010/12/30)

The present invention provides to a compound having melanin-concentrating hormone receptor antagonistic action and low toxicity, and useful as a agent for the prophylaxis or treatment of obesity and the like. The present invention relates to a compound re

Propylphosphonic anhydride (T3P): A remarkably efficient reagent for the one-pot transformation of aromatic, heteroaromatic, and aliphatic aldehydes to nitriles

Augustine, John Kallikat,Atta, Rajendra Nath,Ramappa, Balakrishna Kolathur,Boodappa, Chandrakantha

experimental part, p. 3378 - 3382 (2010/03/03)

Propylphosphonic anhydride has been demonstrated to be an efficient reagent for the transformation of aromatic, heteroaromatic, and aliphatic aldehydes to respective nitriles in excellent yields. This procedure offers simple and one-pot access to nitriles and highlights the synthetic utility of T3P as a versatile reagent in organic chemistry. Georg Thieme Verlag Stuttgart - New York.

INDOLE DERIVATIVES

-

Page/Page column 7, (2008/12/08)

The invention relates to indole derivative having the general Formula I wherein A represents a 5-membered aromatic heterocyclic ring, wherein X1, X2 and X3 are independently selected from N, O, S and CH; Y represents CH2, O, S or SO2; R1 is H, (C1-4)-alkyl, (C1-4)alkyloxy, CN or halogen; R2, R2′, R3, R3′, R4, R4′, R5 and R5′ are independently hydrogen, (C1-4)alkyl (optionally substituted with OH) or CO—OR8; or one pair of geminal substituents R3 and R3′ or R5 and R5′ together represent a keto group, and the others are all hydrogen or (C1-4)alkyl; or R2 and R5 together represent a methylene or an ethylene bridge, and R2′, R3, R3′, R4, R4′ and R5′ are hydrogen; n is 1 or 2; R6 is H, (C1-4)alkyl (optionally substituted with OH(C1-4)alkyloxy, CO—NR9R10, CO—OR11 or 1,2,4-oxadiazol-3-yl), SO2NR12R13 or COOR14; R7 is H or halogen; R8 is (C1-4)alkyl; R9 and R10 are independently hydrogen, (C1-4)alkyl or (C3-7)cycloalkyl, the alkyl groups being optionally substituted with OH or (C1-4)alkyloxy; R11 is H or (C1-4)alkyl; R12 and R13 are independently H or (C1-4)alkyl; R14 is (C1-6)alkyl; or a pharmaceutically acceptable salt thereof, as agonists of the cannabinoid CB1 receptor, which can be used in the treatment of pain such as for example peri-operative pain, chronic pain, neuropathic pain, cancer pain and pain and spasticity associated with multiple sclerosis.

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