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104501-77-1

1H-Indole, 2-(methylthio)-1-(phenylmethyl)- is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

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  • 104501-77-1 Structure

  • Basic information

    1. Product Name: 1H-Indole, 2-(methylthio)-1-(phenylmethyl)-
    2. Synonyms:
    3. CAS NO:104501-77-1
    4. Molecular Formula: C16H15NS
    5. Molecular Weight: 253.368
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 104501-77-1.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: N/A
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 1H-Indole, 2-(methylthio)-1-(phenylmethyl)-(CAS DataBase Reference)
    10. NIST Chemistry Reference: 1H-Indole, 2-(methylthio)-1-(phenylmethyl)-(104501-77-1)
    11. EPA Substance Registry System: 1H-Indole, 2-(methylthio)-1-(phenylmethyl)-(104501-77-1)

  • 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: 104501-77-1(Hazardous Substances Data)

104501-77-1 Usage

Molecular Weight

241.37 g/mol

Structure

Indole ring with a methylthio group at position 2 and a phenylmethyl group at position 1

Class

Indole derivatives

Applications

Potential use in medicinal chemistry for drug development, building block in organic synthesis for creating structurally diverse molecules

Utility

Versatile compound with potential applications in various fields of science and technology.

Check Digit Verification of cas no

The CAS Registry Mumber 104501-77-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,4,5,0 and 1 respectively; the second part has 2 digits, 7 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 104501-77:
(8*1)+(7*0)+(6*4)+(5*5)+(4*0)+(3*1)+(2*7)+(1*7)=81
81 % 10 = 1
So 104501-77-1 is a valid CAS Registry Number.

104501-77-1SDS

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 1-benzyl-2-(methylthio)indole

1.2 Other means of identification

Product number -
Other names 1-Benzyl-2-methylsulfanyl-1H-indole

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:104501-77-1 SDS

104501-77-1Relevant articles and documents

Acid-catalyzed Isomerization of 3-Indolyl Sulfides to 2-Indolyl Sulfides: First Synthesis of 3-Unsubstituted 2-(Arylthio)indoles. Evidence for a Complex intermolecular Process

Hamel, Pierre,Girard, Yves,Atkinson, Joseph G.

, p. 2694 - 2699 (2007/10/02)

The acid-catalyzed isomerization of 3-indolyl sulfides 1 to the corresponding 2-indolyl sulfides 4 provides the first synthesis of 3-unsubstituted 2-(arylthio)indoles, a hitherto unattainable class of compounds.When catalyzed by trifluoracetic acid, the isomerisation proceeds mainly via an intermolecular mechanism involving initial disproportionation to a 2,3-indolyl bis-sulfide 5 and an unsubstituted counterpart 6 followed by further interaction if these species to yield the rearranged isomer 4.A mechanism is proposed involving a role for the acid tn the sulfenyl-transfer steps.This type of process also occurs, to a lesser extent, in the polyphosphoric acid catalyzed isomerization.

Thermal Rearrangements of N-Aryl-1-alkynesulphenamides into Indoline-2-thiones

Baudin, J.-B.,Bekhazi, M.,Julia, S. A.,Ruel, O.,Jong, R. L. P. de,Brandsma, L.

, p. 956 - 958 (2007/10/02)

Reaction of bromomagnesium benzenamides with 1-alkynyl thiocyanates affords the title sulphenamides.On heating in benzene, these sulphenamides undergo -sigmatropic rearrangements followed by cyclisation of the intermediate thioketenes yielding indoli

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