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2-METHYL-3,4,5,6,7,8-HEXAHYDROBENZO[4,5]THIENO[2,3-D]PYRIMIDINE-4-THIONE is a heterocyclic organic compound with a unique chemical structure that features a benzene ring fused with a thieno and pyrimidine ring. It has a methyl group at the 2nd position and a thione group at the 4th position, making it a versatile building block in organic synthesis.

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  • 2-Methyl-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyriMidine-4-thione,

    Cas No: 23922-04-5

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  • 23922-04-5 Structure
  • Basic information

    1. Product Name: 2-METHYL-3,4,5,6,7,8-HEXAHYDROBENZO[4,5]THIENO[2,3-D]PYRIMIDINE-4-THIONE
    2. Synonyms: 2-METHYL-3,4,5,6,7,8-HEXAHYDROBENZO[4,5]THIENO[2,3-D]PYRIMIDINE-4-THIONE;[1]BENZOTHIENO[2,3-D]PYRIMIDINE-4(3H)-THIONE, 5,6,7,8-TETRAHYDRO-2-METHYL-;2-Methyl-3,4,5,6,7,8-hexahydrobenzo[4,5]thien[2,3-d]pyrimidine-4-thione
    3. CAS NO:23922-04-5
    4. Molecular Formula: C11H12N2S2
    5. Molecular Weight: 236.36
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 23922-04-5.mol
  • Chemical Properties

    1. Melting Point: >250℃
    2. Boiling Point: 420.9°C at 760 mmHg
    3. Flash Point: 208.3°C
    4. Appearance: /
    5. Density: 1.51g/cm3
    6. Vapor Pressure: 2.72E-07mmHg at 25°C
    7. Refractive Index: 1.8
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 0.63±0.20(Predicted)
    11. CAS DataBase Reference: 2-METHYL-3,4,5,6,7,8-HEXAHYDROBENZO[4,5]THIENO[2,3-D]PYRIMIDINE-4-THIONE(CAS DataBase Reference)
    12. NIST Chemistry Reference: 2-METHYL-3,4,5,6,7,8-HEXAHYDROBENZO[4,5]THIENO[2,3-D]PYRIMIDINE-4-THIONE(23922-04-5)
    13. EPA Substance Registry System: 2-METHYL-3,4,5,6,7,8-HEXAHYDROBENZO[4,5]THIENO[2,3-D]PYRIMIDINE-4-THIONE(23922-04-5)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 23922-04-5(Hazardous Substances Data)

23922-04-5 Usage

Uses

Used in Pharmaceutical Industry:
2-METHYL-3,4,5,6,7,8-HEXAHYDROBENZO[4,5]THIENO[2,3-D]PYRIMIDINE-4-THIONE is used as a reactant in the synthesis and evaluation of substituted (thieno[2,3-d]pyrimidin-4-ylthio)carboxylic acids. These compounds serve as potential inhibitors of human protein kinase CK2, which plays a crucial role in various cellular processes, including cell proliferation, differentiation, and apoptosis. Inhibition of this enzyme may have therapeutic applications in treating various diseases, including cancer and inflammatory disorders.
Used in Organic Synthesis:
2-METHYL-3,4,5,6,7,8-HEXAHYDROBENZO[4,5]THIENO[2,3-D]PYRIMIDINE-4-THIONE can be employed as a key intermediate in the synthesis of various heterocyclic compounds with potential applications in pharmaceuticals, agrochemicals, and materials science. Its unique structure allows for further functionalization and modification, enabling the development of novel compounds with improved properties and applications.

Check Digit Verification of cas no

The CAS Registry Mumber 23922-04-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,3,9,2 and 2 respectively; the second part has 2 digits, 0 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 23922-04:
(7*2)+(6*3)+(5*9)+(4*2)+(3*2)+(2*0)+(1*4)=95
95 % 10 = 5
So 23922-04-5 is a valid CAS Registry Number.
InChI:InChI=1/C11H12N2S2/c1-6-12-10(14)9-7-4-2-3-5-8(7)15-11(9)13-6/h2-5H2,1H3,(H,12,13,14)

23922-04-5 Well-known Company Product Price

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  • Alfa Aesar

  • (H33975)  2-Methyl-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidine-4-thione, 96%   

  • 23922-04-5

  • 500mg

  • 1343.0CNY

  • Detail

23922-04-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-4-thione

1.2 Other means of identification

Product number -
Other names F1902-0005

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:23922-04-5 SDS

23922-04-5Downstream Products

23922-04-5Relevant articles and documents

Synthesis and biological evaluation of substituted (thieno[2,3-d]pyrimidin- 4-ylthio)carboxylic acids as inhibitors of human protein kinase CK2

Golub, Andriy G.,Bdzhola, Volodymyr G.,Briukhovetska, Nadiia V.,Balanda, Anatoliy O.,Kukharenko, Olexander P.,Kotey, Igor M.,Ostrynska, Olga V.,Yarmoluk, Sergiy M.

scheme or table, p. 870 - 876 (2011/04/22)

A novel series of substituted (thieno[2,3-d]pyrimidin-4-ylthio)carboxylic acids has been synthesized and tested in vitro towards human protein kinase CK2. It was revealed that the most active compounds inhibiting CK2 are 3-{[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]thio}propanoic acid and 3-{[5-(4-ethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]thio}propanoic acid (IC 50 values are 0.1 μM and 0.125 μM, respectively). Structure-activity relationships of 28 tested thienopyrimidine derivatives have been studied and binding mode of this chemical class has been predicted. Evaluation of the inhibitors on seven protein kinases revealed considerable selectivity towards CK2.

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