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5-(METHYLTHIO)THIOPHENE-2-CARBOXYLIC ACID is an off-white solid that serves as a key compound in the synthesis of various pharmaceutical agents. It is characterized by its unique chemical structure, which includes a thiophene ring with a methylthio group and a carboxylic acid functional group.

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  • 20873-58-9 Structure
  • Basic information

    1. Product Name: 5-(METHYLTHIO)THIOPHENE-2-CARBOXYLIC ACID
    2. Synonyms: RARECHEM AL BO 0821;5-(METHYLTHIO)THIOPHENE-2-CARBOXYLIC ACID;5-(METHYLSULFANYL)-2-THIOPHENECARBOXYLIC ACID;AKOS B029959;BUTTPARK 29\06-45;5-(Methylsulfonyl)-2- thiophenecarboxylic acid;5-Methylsulfanyl-thiophene-2-carboxylic acid;5-(Methylthio)thiophene-2-carboxylic acid ,97%
    3. CAS NO:20873-58-9
    4. Molecular Formula: C6H6O2S2
    5. Molecular Weight: 174.24
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 20873-58-9.mol
  • Chemical Properties

    1. Melting Point: 103 °C
    2. Boiling Point: 338.2 °C at 760 mmHg
    3. Flash Point: 158.4 °C
    4. Appearance: Off-white/Solid
    5. Density: 1.43 g/cm3
    6. Vapor Pressure: 3.88E-05mmHg at 25°C
    7. Refractive Index: 1.642
    8. Storage Temp.: 2-8°C(protect from light)
    9. Solubility: N/A
    10. PKA: 3.65±0.10(Predicted)
    11. CAS DataBase Reference: 5-(METHYLTHIO)THIOPHENE-2-CARBOXYLIC ACID(CAS DataBase Reference)
    12. NIST Chemistry Reference: 5-(METHYLTHIO)THIOPHENE-2-CARBOXYLIC ACID(20873-58-9)
    13. EPA Substance Registry System: 5-(METHYLTHIO)THIOPHENE-2-CARBOXYLIC ACID(20873-58-9)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36/37/38-43-20/21/22
    3. Safety Statements: 26-36/37/39-36/37-22
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 20873-58-9(Hazardous Substances Data)

20873-58-9 Usage

Uses

Used in Pharmaceutical Industry:
5-(METHYLTHIO)THIOPHENE-2-CARBOXYLIC ACID is used as a chemical intermediate for the synthesis of acylated piperidinylmethyl and azabicyclomethyl pyridinemethanamines. These compounds act as selective 5-HT1a superagonists, which have potential applications in the treatment of central nervous system (CNS) disorders.
The compound's unique structure allows it to be a versatile building block in the development of new drugs targeting the serotonin 1A (5-HT1A) receptor, which is involved in various physiological processes and is a common target for the treatment of anxiety, depression, and other CNS-related conditions. By modulating the activity of this receptor, the synthesized compounds can potentially alleviate symptoms associated with these disorders and improve the quality of life for patients.

Check Digit Verification of cas no

The CAS Registry Mumber 20873-58-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,0,8,7 and 3 respectively; the second part has 2 digits, 5 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 20873-58:
(7*2)+(6*0)+(5*8)+(4*7)+(3*3)+(2*5)+(1*8)=109
109 % 10 = 9
So 20873-58-9 is a valid CAS Registry Number.
InChI:InChI=1/C6H6O2S2/c1-9-5-3-2-4(10-5)6(7)8/h2-3H,1H3,(H,7,8)

20873-58-9 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
  • Packaging
  • Price
  • Detail
  • Alfa Aesar

  • (H61106)  5-(Methylthio)thiophene-2-carboxylic acid, 97%   

  • 20873-58-9

  • 250mg

  • 527.0CNY

  • Detail
  • Alfa Aesar

  • (H61106)  5-(Methylthio)thiophene-2-carboxylic acid, 97%   

  • 20873-58-9

  • 1g

  • 1687.0CNY

  • Detail

20873-58-9Relevant articles and documents

Halogen-magnesium exchange on unprotected aromatic and heteroaromatic carboxylic acids

Kopp, Felix,Wunderlich, Stefan,Knochel, Paul

, p. 2075 - 2077 (2008/02/09)

The magnesiation of halogenated aromatic and heteroaromatic carboxylic acids is accomplished by their treatment with MeMgCl in the presence of LiCl and subsequent reaction with i-PrMgCl·LiCl; the resulting double-magnesiated species react with a variety of electrophiles in up to 97% yield. The Royal Society of Chemistry.

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