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3-Chloropropylmethylsulfane, with the molecular formula C4H9ClS, is an organosulfur compound characterized by the presence of a chloroalkyl group and a methylsulfanyl group. It is a flammable, colorless liquid with a pungent odor, known for its role as an intermediate in the synthesis of pharmaceuticals and agrochemicals. Additionally, it has potential applications as a cross-linking agent in silicone rubber fabrication. Due to its irritant and harmful effects, it requires careful handling and proper safety measures during its use.

13012-59-4

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13012-59-4 Usage

Uses

Used in Pharmaceutical and Agrochemical Industries:
3-Chloropropylmethylsulfane is utilized as a key intermediate in the synthesis of various pharmaceuticals and agrochemicals. Its unique chemical structure allows for the development of new compounds with specific therapeutic or pesticidal properties.
Used in Silicone Rubber Fabrication:
3-Chloropropylmethylsulfane serves as a cross-linking agent in the production of silicone rubber. Its ability to form covalent bonds between polymer chains enhances the mechanical properties and stability of the final product, making it suitable for various applications, such as seals, gaskets, and medical devices.
Used in Chemical Research and Development:
Due to its reactive nature and versatile chemical properties, 3-Chloropropylmethylsulfane is employed in chemical research and development for the exploration of new reactions, synthesis methods, and the creation of novel compounds with potential applications in various industries.

Check Digit Verification of cas no

The CAS Registry Mumber 13012-59-4 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,3,0,1 and 2 respectively; the second part has 2 digits, 5 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 13012-59:
(7*1)+(6*3)+(5*0)+(4*1)+(3*2)+(2*5)+(1*9)=54
54 % 10 = 4
So 13012-59-4 is a valid CAS Registry Number.
InChI:InChI=1/C4H9ClS/c1-6-4-2-3-5/h2-4H2,1H3

13012-59-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Chloropropylmethylsulfane

1.2 Other means of identification

Product number -
Other names Propane, 1-chloro-3-(methylthio)-

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:13012-59-4 SDS

13012-59-4Relevant academic research and scientific papers

Glucosinolate chemistry. First synthesis of glucosinolates bearing an external thio-function

Mavratzotis,Dourtoglou,Lorin,Rollin

, p. 5699 - 5700 (1996)

A general strategy was developed to synthesize ω-methylthioalkyl glucosinolates through a coupling reaction between 1-thio-β-D-glucopyranose and a hydroximoyl halide obtained from the corresponding nitroalkyl methylsulfide precursor.

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)

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).

ω-methylsulfanylalkyl glucosinolates: A general synthetic pathway

Mavratzotis, Manolis,Cassel, Stéphanie,Montaut, Sabine,Rollin, Patrick

, (2018)

A general pathway was devised to synthesize ω-methylsulfanylalkyl glucosinolates, which represent an important class of structurally homogeneous plant secondary metabolites. The required thiofunctionalized hydroximoyl chlorides were obtained from the corresponding α,ω-nitroalkyl methylsulfide precursors, involving as the key-step, a nitronate chlorination strategy. A coupling reaction with 1-thio-beta-D-glucopyranose, followed by O-sulfation of the intermediate thiohydroximate and final deprotection of the sugar moiety afforded the target compounds.

Method for preparing 3-methylthio propylamine

-

Paragraph 0006; 0021; 0025; 0029; 0033, (2018/03/24)

The invention provides a preparation method of 3-methylthio propylamine. The method is characterized in that under the effects of microwaves and ultrasonic waves, flavoring essence of 3-methylthio propyl alcohol capable of being easily obtained in China is used as a starting raw material; the reaction time is short; the total yield is relatively high. Under the effects of microwaves and ultrasonicwaves, firstly, 3-methylthio propyl alcohol and thionyl chloride react for 20 to 60 min under the back flow condition to prepare 3-methylthio-1-chloropropane, and the yield is greater than 95 percent; then, at 80 to 90 DEG C, the 3-methylthio-1-chloropropane and phthalimide potassium react for 0.5 to 2.5h to prepare N-3-methylthio propyl phthalimide, and the yield is greater than 94 percent; finally, the N-3-methylthio propyl phthalimide and hydrazine hydrate perform backflow reaction in absolute ethyl alcohol for 20 to 60min to prepare the 3-methylthio propylamine, and the yield is greater than 85 percent.

ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES

-

, (2016/04/20)

Imidazophenanthridine ligands and metal complexes are provided. The compounds exhibit improved stability through a linking substitution that links a nitrogen bonded carbon of an imidizole ring to a carbon on the adjacent fused aryl ring. The compounds may be used in organic light emitting devices, particularly as emissive dopants, providing devices with improved efficiency, stability, and manufacturing. In particular, the compounds provided herein may be used in blue devices having high efficiency.

HETEROCYCLIC INHIBITORS OF GLUTAMINASE

-

Page/Page column 128, (2013/06/06)

The invention relates to the heterocyclic compounds of Formula (I) as defined further herein, and pharmaceutical preparations thereof. The invention further relates to methods of treating cancer, immunological or neurological diseases using the heterocyclic compounds of the invention.

Synthesis of α-Halogeno-ω-alkylthioalkanes and α,ω-Bisalkylthioalkanes

Anklam, Elke

, p. 841 - 843 (2007/10/02)

The reaction of α,ω-dihalogenated alkanes with alkylthiolates affords α-halogeno-ω-alkylthioalkanes 1 as well as α,ω-bisalkylthioalkanes 2.Products 1 (40 examples) and 2 (22 examples) are easily isolated in good yields by flash chromato

Sulphoxide Substituted Pyridines as Phase-transfer Catalysts for Nucleophilic Displacements and Alkylations

Furukawa, Naomichi,Ogawa, Satoshi,Kawai, Tsutomu,Oae, Shigeru

, p. 1833 - 1838 (2007/10/02)

2-Methylsulphinyl-, 2-methylsulphinylmethyl-, 2,6-bis(methylsulphinyl)-, 2,6-bis(methylsulphinylmethyl)-pyridines, bis(2-pyridylmethyl)sulphoxide, and 2-methylsulphinylpyridine N-oxide have been prepared.These sulphoxides served as good phase-transfer catalysts which accelerate SN2 type displacements of octyl bromide with various nucleophiles (thiolate, cyanide, thiocyanate, and phenoxide) in solid-liquid two-phase systems.Alkylations of phenylacetonitrile and benzyl methyl ketone with alkyl halides were also carried out in liquid-liquid two-phase systems in the presence of the above sulphoxides to afford the corresponding monoalkylated products in high yields.Pyridine derivatives bearing polysulphinyl groups were found to be even more effective catalysts for these two-phase alkylations.Neither 2-methylthio- nor 2-methylsulphonyl-pyridine catalysed SN2 type displacement reactions effectively.

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