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3-(2-Benzothiazolylthio)propionic acid, a chemical compound with the formula C11H9NO2S2, is a versatile and valuable compound in various scientific and industrial applications. It is commonly used in the synthesis of drugs and pharmaceuticals, and as a building block in organic chemistry. Known for its anti-inflammatory and antioxidant properties, it is a potential candidate for the development of new drugs to treat inflammatory and oxidative stress-related diseases. Furthermore, it can be used as a fluorescent probe in the study of protein conformation and function, and has potential applications in the fields of materials science and biochemistry.

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  • 4767-00-4 Structure
  • Basic information

    1. Product Name: 3-(2-BENZOTHIAZOLYLTHIO)PROPIONIC ACID
    2. Synonyms: benzothiazolylthiopropionicacid;3-(2-BENZOTHIAZOLYLTHIO)PROPIONIC ACID;3-(1,3-BENZOTHIAZOL-2-YLTHIO)PROPANOIC ACID;3-(2-BENZOTHIAZOLYLTHIO)PROPIONIC ACID 98+%;3-(Benzothiazol-2-ylthio)propionic acid;3-(1,3-benzothiazol-2-ylthio)propionic acid;3-(Benzo[d]thiazol-2-ylthio)propanoic acid
    3. CAS NO:4767-00-4
    4. Molecular Formula: C10H9NO2S2
    5. Molecular Weight: 239.31
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 4767-00-4.mol
  • Chemical Properties

    1. Melting Point: 149 °C
    2. Boiling Point: 442.7°Cat760mmHg
    3. Flash Point: 221.6°C
    4. Appearance: /
    5. Density: 1.45g/cm3
    6. Vapor Pressure: 1.28E-08mmHg at 25°C
    7. Refractive Index: 1.7
    8. Storage Temp.: Sealed in dry,Room Temperature
    9. Solubility: N/A
    10. PKA: 4.17±0.10(Predicted)
    11. Water Solubility: Insoluble in water
    12. CAS DataBase Reference: 3-(2-BENZOTHIAZOLYLTHIO)PROPIONIC ACID(CAS DataBase Reference)
    13. NIST Chemistry Reference: 3-(2-BENZOTHIAZOLYLTHIO)PROPIONIC ACID(4767-00-4)
    14. EPA Substance Registry System: 3-(2-BENZOTHIAZOLYLTHIO)PROPIONIC ACID(4767-00-4)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36/37/38
    3. Safety Statements: 26-36/37/39
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 4767-00-4(Hazardous Substances Data)

4767-00-4 Usage

Uses

Used in Pharmaceutical Industry:
3-(2-Benzothiazolylthio)propionic acid is used as a building block in the synthesis of drugs and pharmaceuticals for its potential to develop new drugs to treat inflammatory and oxidative stress-related diseases.
Used in Organic Chemistry:
3-(2-Benzothiazolylthio)propionic acid is used as a building block in organic chemistry for its versatile properties and potential applications in various chemical reactions.
Used in Biochemistry Research:
3-(2-Benzothiazolylthio)propionic acid is used as a fluorescent probe in the study of protein conformation and function, aiding researchers in understanding the structure and behavior of proteins.
Used in Materials Science:
3-(2-Benzothiazolylthio)propionic acid has potential applications in the field of materials science, contributing to the development of new materials with unique properties.
Used in Biochemistry Applications:
3-(2-Benzothiazolylthio)propionic acid is used in biochemistry for its anti-inflammatory and antioxidant properties, making it a potential candidate for the development of new drugs to treat related diseases.

Check Digit Verification of cas no

The CAS Registry Mumber 4767-00-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,7,6 and 7 respectively; the second part has 2 digits, 0 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 4767-00:
(6*4)+(5*7)+(4*6)+(3*7)+(2*0)+(1*0)=104
104 % 10 = 4
So 4767-00-4 is a valid CAS Registry Number.
InChI:InChI=1/C10H9NO2S2/c12-9(13)5-6-14-10-11-7-3-1-2-4-8(7)15-10/h1-4H,5-6H2,(H,12,13)

4767-00-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(2-Benzothiazolylthio)propionic Acid

1.2 Other means of identification

Product number -
Other names 3-(1,3-benzothiazol-2-ylsulfanyl)propanoic acid

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:4767-00-4 SDS

4767-00-4Relevant articles and documents

A modular template for the design of thiol-triggered sensors and prodrugs

Berkman, Clifford E.,Chen, Wei,Knight, Jessica Renee,Wang, Yingying,Xian, Ming,Xu, Shi

, (2021)

A unique reaction between thiols (RSH) and alkyl sulfonylbenzothiazole was discovered. This reaction was specific for thiols and produced a sulfinic acid (RSO2H) as the intermediate, which further triggered an intramolecular cyclization to release a -OH containing payload. This reaction was used to develop thiol-triggered fluorescent sensors and prodrugs. The modular design of this template provides tunability of the release profiles of the payloads.

New Taste-blind Substances. Studies on the Sensory Divergence of Bitterness to the Taste-blindness of 2-Mercaptoimidazoline, 2-Mercaptobenzothiazole and Their Derivatives, with Special Reference to Their Molecular Structure

Kouge, Katsushige,Koizumi, Tatsuya,Ishibashi, Norio,Okai, Hideo

, p. 1941 - 1946 (2007/10/02)

In order to investigate the relationship between taste-blindness and its chemical structure, sensory tests on thioureas, guanidines, imidazoles and thiazoles, which are widely used as vulcanizing agents for rubber, were carried out.It was found that new compounds, which had an intermediate characteristic between bitter and taste-blind substances, were present in benzimidazole and benzothiazole compounds.When it is considered that these compounds have structural similarities and only slight structural changes were present in them, these results provide an indication of the bitter exhibition mechanism on a taste receptor.

BENZAZOLIN-2-THIONES IN THE MICHAEL REACTION. 2. REACTION OF BENZOTHIAZOLIN- AND BENZOXAZOLIN-2-THIONES WITH ACRYLONITRILE, ACRYLAMIDE, AND METHYL ACRYLATE IN THE PRESENCE OF BASIC CATALYSTS

Anan'eva, K. V.,Rozhkova, N. K.

, p. 564 - 567 (2007/10/02)

Depending on the structure of the reagents and the kind of basic catalyst, the addition of benzazolin-2-thiones to an activated double bond takes place at either nitrogen or sulfur.Acrylonitrile, regardless of the catalyst, reacts at the nitrogen atom.In the presence of sodium methylate, addition to acrylamide takes place only, and to methyl acrylate predominantly at nitrogen.In the presence of triethylamine, a mixture of compounds with a high content of S-derivatives forms.

BENZAZOLIN-2-THIONES IN THE MICHAEL REACTION. 1. REACTION OF BENZOTHIAZOLIN- AND BENZOXAZOLIN-2-THIONES WITH ACRYLONITRILE, ACRYLAMIDE, AND METHACRYLATE IN THE PRESENCE OF ACID CATALYST

Anan'eva, K.V.,Rozhkov, N.K.

, p. 456 - 459 (2007/10/02)

The reaction of benzothiazolin- and benzoxazolin-2-thiones with acrylonitrile, acrylamide, and methylacrylate under conditions of acid catalysis takes place at the sulfur atom.The formation of minor amounts of N-derivatives is attributed to izomerization of the principal reaction products.

Synthesis and Reactions of 2-Mercaptobenzothiazole Derivatives of Expected Biological Activity. 2

Hammam, Abou El-Fotooh G.,Youssif, Nabil M.

, p. 207 - 208 (2007/10/02)

The amides and anilides of benzothiazol-2-ylthioacetic acid and 3-(benzothiazol-2-ylthio)propanoic acid were prepared by the reaction of the corresponding acid chlorides with amines and anilines.Also the arylhydrazones, the cycloalkanone hydrazones, and pyrazoline derivatives were prepared.

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