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Heptane, 1-isothiocyanato-7-(methylthio)is a chemical compound with the molecular formula C10H19NS and a molecular weight of 189.33 g/mol. It is a derivative of heptane, a straight-chain alkane with seven carbon atoms. The 1-isothiocyanato-7-(methylthio)group indicates the presence of an isothiocyanate functional group at the first carbon atom and a methylthio group at the seventh carbon atom of the heptane chain. Heptane, 1-isothiocyanato-7-(methylthio)is characterized by its unique molecular structure and properties, making it a versatile component in various chemical applications.

4430-38-0

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4430-38-0 Usage

Uses

Used in Chemical Synthesis:
Heptane, 1-isothiocyanato-7-(methylthio)is used as a key intermediate in chemical synthesis for the production of various organic compounds. Its unique functional groups allow for a wide range of chemical reactions, making it a valuable building block in the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Organic Chemistry:
In the field of organic chemistry, Heptane, 1-isothiocyanato-7-(methylthio)is used as a reagent in various chemical reactions. Its isothiocyanate and methylthio groups enable it to participate in a variety of organic transformations, such as nucleophilic substitutions, addition reactions, and rearrangements. This versatility makes it a useful tool for organic chemists in the development of new synthetic routes and methodologies.
Used in Pharmaceutical Industry:
Heptane, 1-isothiocyanato-7-(methylthio)may have applications in the pharmaceutical industry as a precursor for the synthesis of bioactive compounds. Its unique molecular structure can be exploited to design and develop new drugs with potential therapeutic applications. The isothiocyanate group, in particular, is known for its ability to form stable conjugates with various biomolecules, which can be harnessed for drug delivery and targeting purposes.
Used in Material Science:
In material science, Heptane, 1-isothiocyanato-7-(methylthio)may be used as a component in the development of new materials with specific properties. Its molecular structure can be tailored to create materials with unique chemical, physical, and mechanical properties, making it a promising candidate for applications in coatings, adhesives, and other industrial materials.
Due to its molecular structure and properties, Heptane, 1-isothiocyanato-7-(methylthio)should be handled and stored with care to prevent hazardous exposure. Proper safety measures, such as the use of personal protective equipment and adherence to established handling protocols, are essential to ensure the safe use of Heptane, 1-isothiocyanato-7-(methylthio)- in various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 4430-38-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,4,3 and 0 respectively; the second part has 2 digits, 3 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 4430-38:
(6*4)+(5*4)+(4*3)+(3*0)+(2*3)+(1*8)=70
70 % 10 = 0
So 4430-38-0 is a valid CAS Registry Number.

4430-38-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 7-(methylthio)heptyl isothiocyanate

1.2 Other means of identification

Product number -
Other names 7-Methylmercapto-heptylisothiocyanat

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:4430-38-0 SDS

4430-38-0Relevant academic research and scientific papers

Structure-Activity Relationship Study on Isothiocyanates: Comparison of TRPA1-Activating Ability between Allyl Isothiocyanate and Specific Flavor Components of Wasabi, Horseradish, and White Mustard

Terada, Yuko,Masuda, Hideki,Watanabe, Tatsuo

, p. 1937 - 1941 (2015/09/08)

Allyl isothiocyanate (ITC) (4) is the main pungent component in wasabi, and it generates an acrid sensation by activating TRPA1. The flavor and pungency of ITCs vary depending on the compound. However, the differences in activity to activate TRPA1 between ITCs are not known except for a few compounds. To investigate the effect of carbon chain length and substituents of ITCs, the TRPA1-activiting ability of 16 ITCs was measured. Since most of the ITCs showed nearly equal TRPA1-activiting potency, the ITC moiety is likely the predominant contributor to their TRPA1-activating abilities, and contributions of other functional groups to their activities to activate TRPA1 are comparatively small. (Figure Presented).

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