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2-(propylthio)aniline, with the molecular formula C9H13NS, is an aniline derivative characterized by the presence of a propylthio group attached to the aniline molecule. This chemical compound is known for its potential applications in various industries and is considered to have low toxicity, making it a relatively safe compound to handle under standard laboratory safety practices.

79792-95-3

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79792-95-3 Usage

Uses

Used in Pharmaceutical Industry:
2-(propylthio)aniline is used as a chemical intermediate for the synthesis of various pharmaceuticals. Its unique structure allows it to be a key component in the development of new drugs, contributing to the advancement of medical treatments.
Used in Dye Industry:
In the dye industry, 2-(propylthio)aniline is employed as an intermediate in the production of dyes. Its chemical properties enable it to be a part of the formulation of various colorants, enhancing the range of colors available for different applications.
Used in Research and Development:
2-(propylthio)aniline is utilized in research and development settings to explore its chemical properties and potential applications. Its presence in various chemical reactions can lead to the discovery of new compounds and materials, further expanding the horizons of scientific knowledge.

Check Digit Verification of cas no

The CAS Registry Mumber 79792-95-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,9,7,9 and 2 respectively; the second part has 2 digits, 9 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 79792-95:
(7*7)+(6*9)+(5*7)+(4*9)+(3*2)+(2*9)+(1*5)=203
203 % 10 = 3
So 79792-95-3 is a valid CAS Registry Number.
InChI:InChI=1/C9H13NS/c1-2-7-11-9-6-4-3-5-8(9)10/h3-6H,2,7,10H2,1H3

79792-95-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-propylsulfanylaniline

1.2 Other means of identification

Product number -
Other names 2-propylsulfanyl-aniline

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:79792-95-3 SDS

79792-95-3Relevant academic research and scientific papers

Visible-Light-Promoted Remote C-H Functionalization of o-Diazoniaphenyl Alkyl Sulfones

Du, Shaofu,Kimball, Elizabeth Ann,Ragains, Justin R.

supporting information, p. 5553 - 5556 (2017/10/25)

Visible-light irradiation of ortho-diazoniaphenyl alkyl sulfones in the presence of Ru(bpy)32+ results in remote Csp3-H functionalization. Key mechanistic steps in these processes involve intramolecular hydrogen atom transfer from Csp3-H bonds to aryl radicals to generate alkyl/benzyl radicals. Subsequent polar crossover occurs by single-electron oxidation of the alkyl/benzyl radicals to carbenium ions that then intercept nucleophiles. We have developed remote hydroxylations, etherifications, an amidation, and C-C bond formation processes using this strategy.

Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines

Clark, Ewan R.,Hayward, John J.,Leontowicz, Bryce J.,Eisler, Dana J.,Rawson, Jeremy M.

, p. 1755 - 1762 (2014/03/21)

The syntheses of nine benzo-fused-1,2,4-thiadizines are reported. The use of microwave synthesis has been shown to afford high yields and short reaction times in several key reaction steps. The molecular geometries of these heterocycles are discussed and

KF-alumina immobilized in ionic liquids: A novel heterogeneous base for heterocyclization of alkylsulfanylphenylamines into 1,4-benzothiazine

Chhikara, Bhupender S.,Mishra, Anil K.,Tandon, Vibha

, p. 1057 - 1065 (2007/10/03)

A rapid and convenient synthetic methodology for the cyclocondensative transformation of various alkylsulfanylphenylamines with bromoacetyl bromide by supporting on KF-alumina in ionic liquids [bmim] [Br] and [bmim][BF 4] has been developed to obtain 3-oxo-1,4-benzothiazine in good yields. The product is easily obtained by extraction with ethyl acetate and concentrating under vacuum. Easy recovery of ionic liquid and use in consecutive reactions is also reported.

Fused-Ring Thiadiazines: Preparation and Crystallographic Characterization of 3-Phenyl Derivative of Benzo-, Pyridio[2,3-e]-, Pyrazino[2,3-e]-, and Tetrafluorobenzo-[1,2,4]thiadiazines

Zienkiewicz, Jozef,Kaszynski, Piotr,Young Jr., Victor G.

, p. 2551 - 2561 (2007/10/03)

Four bicyclic 4H-[1,2,4]thiadiazines 1a-d were prepared in 74-88% yields in two steps from the corresponding amidines 2. Three of them, 1a, 1b, and 1d, were obtained by thermal elimination of propene from the intermediate S-propylsulfilimines 12. The pyrazino derivative 1c was formed upon thermolysis of sulfoxide 14c obtained from 2c. The Ei mechanism was investigated using DFT methods. The elimination in the sulfilimine appears to be more favorable by about 2 kcal/mol than in the analogous sulfoxide. Crystal and molecular structures of three out of the four thiadiazines were established by single-crystal X-ray analysis. All thiadiazines were found as the 4H tautomers with the heterocyclic ring puckered along the S(1)...N(4) line. The benzo derivative 1a forms a unidimensional N(4)-H...N(2) chain, the pyrazino derivative 1c forms dimeric pairs with two synergistic hydrogen bonds, and the crystal structure of 1d is characterized by strong C6F 4...C6H5 quadrupolar interactions.

Diagnostic radiopharmaceutical compounds (That)

-

, (2008/06/13)

Tetradentate ligands are used to form neutral 99m-technetium complexes which may be useful as radiopharmaceuticals e.g. as brain imaging agents. The ligands have the structure STR1 where n is 2 or 3, m is 0-4, R is H or substituted or unsubstituted C1 -C6 alkyl, provided that one CR2 group adjacent the starred nitrogen atom represents CO and forms with the adjacent N atom, a --CONH-- amide group, Y is unsubstituted or substituted C1 -C6 alkyl, and one of X and X' represents H or a labile thiol protecting group while the other is unsubstituted or substituted C1 -C6 alkyl, alkenyl or alkynyl.

Synthesis of 4-(Phenylamino)quinoline-3-carboxamides as a novel class of gastric H+/K+-ATPase inhibitors

Uchida,Otsubo,Matsubara,Ohtani,Morita,Yamasaki

, p. 693 - 698 (2007/10/03)

In a search for inhibitors of gastric H+/K+-ATPase, 4-(phenylamino)quinoline-3-carboxamides were synthesized and evaluated for antisecretory activity against histamine-induced gastric acid secretion in rats. These compounds were synt

Reaction of Phenylnitrenium Ion with Sulphides. A Novel Synthetic Method for Aminophenyl Sulphide Derivatives

Takeuchi, Hiroshi,Hirayama, Shinji,Mitani, Michiharu,Koyama, Kikuhiko

, p. 521 - 528 (2007/10/02)

The reaction of phenyl azide with sulphides in the presence of both trifluoroacetic acid and trifluoromethanesulphonic acid to produce 2- and 4-aminophenyl sulphides (2) and (3) was investigated in order to obtain information on the following points: the kinetics of decomposition of phenyl azide, the effect of addition of benzene to reaction systems, the replacement of phenyl azide by 1-phenyl-2-methyl-4,6-diphenylpyridinium salt, and the steric and electronic effect of substituents in the sulphides.The products are formed through an azasulphonium ion by reaction of phenylnitrenium ion with sulphide, followed by rearrangement of the alkyl group in the azasulphonium ion.Sulphides with primary alykl groups larger than propyl result in selective formation of ortho-products (2), the mechanism of which is discussed in detail.

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