CAS 13623-94-4

1,1-Bis(methylthio)-2-nitroethylene

Description:

1,1-Bis(methylthio)-2-nitroethylene, with the CAS number 13623-94-4, is an organic compound characterized by its unique structure featuring two methylthio groups and a nitro group attached to a vinylene framework. This compound typically appears as a yellow to brown solid or liquid, depending on its purity and specific conditions. It is known for its reactivity, particularly in nucleophilic substitution reactions due to the presence of the electron-withdrawing nitro group, which enhances the electrophilic character of the double bond. The methylthio groups contribute to its overall stability and solubility in organic solvents. Additionally, this compound may exhibit biological activity, making it of interest in various fields, including agrochemicals and pharmaceuticals. Safety considerations are important, as compounds with nitro groups can be sensitive to heat and shock, and proper handling and storage protocols should be followed to mitigate any risks associated with its use.

Formula: C₄H₇NO₂S₂

InChI: InChI=1S/C4H7NO2S2/c1-8-4(9-2)3-5(6)7/h3H,1-2H3

InChI key: InChIKey=NXGHEDHQXXXTTP-UHFFFAOYSA-N

SMILES: C(=CN(=O)=O)(SC)SC

Synonyms:

• (2-Nitroethene-1,1-diyl)bis(methylsulfane)
• 1,1-Bis(Methylsulfanyl)-2-Nitroethene
• 1,1-Bis(methylthio)-2-nitroethene
• 1,1-bis(Methylthio)-2-Nitroethylene
• 1-Nitro-2,2-bis(methylmercapto)ethylene
• 1-Nitro-2,2-bis(methylthio)ethene
• 1-Nitro-2,2-bis(methylthio)ethylene
• 2,2-Bis(methylthio)-1-nitroethylene
• Ethene, 1,1-bis(methylthio)-2-nitro-
• Ethylene, 1,1-bis(methylthio)-2-nitro-
• Ketene, nitro-, dimethyl mercaptole

1,1-Bis(methylthio)-2-nitroethylene

CAS: 13623-94-4

Formula: C₄H₇NO₂S₂

Purity: >98.0%(GC)

Color and Shape: Light yellow to Brown powder to crystal

Molecular weight: 165.23

Ref: 3B-B1378

1,1-Bis(methylthio)-2-nitroethylene, 99%

CAS: 13623-94-4

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₄H₇NO₂S₂

Purity: 99%

Color and Shape: Crystalline powder, Yellow

Molecular weight: 165.23

Ref: 02-A11789

1,1-Bis(methylthio)-2-nitroethylene

CAS: 13623-94-4

Formula: C₄H₇NO₂S₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 165.2339

Ref: IN-DA0032JP

1,1-Bis(Methylthio)-2-Nitroethylene

CAS: 13623-94-4

1,1-Bis(Methylthio)-2-Nitroethylene (1,1-BMNE) inhibits enzymes like P450 and acetylcholinesterase.

Formula: C₄H₇NO₂S₂

Purity: 99.19%

Color and Shape: Yellow To Gold To Brown Powder Crystals Crystalline Powder And/Or Chunks

Molecular weight: 165.23

Ref: TM-T1345

1,1-Bis(Methylthio)-2-Nitroethylene

CAS: 13623-94-4

1,1-Bis(Methylthio)-2-Nitroethylene

Purity: ≥95%

Molecular weight: 165.23g/mol

Ref: 54-BUP19166

1,1-Bis(methylsulphanyl)-2-nitroethylene

CAS: 13623-94-4

1,1-Bis(methylsulphanyl)-2-nitroethylene

Purity: 98%

Color and Shape: Beige Powder

Molecular weight: 165.23388g/mol

Ref: 54-OR30139

1.1-bis(methylthio)-2-nitroethylene

CAS: 13623-94-4

Purity: 98.0%

Color and Shape: Solid

Molecular weight: 165.22999572753906

Ref: 10-F049817

1,1-Bis(methylthio)-2-nitroethylene

CAS: 13623-94-4

Formula: C₄H₇NO₂S₂

Purity: ≥ 96.0%

Color and Shape: Pale yellow to brown powder or crystals

Molecular weight: 165.23

Ref: 7W-GK8862

Bis(methylthio)-2-nitroethylene

Controlled Product

CAS: 13623-94-4

Applications Bis(methylthio)-2-nitroethylene is a synthetic intermediate as well as an impurity of the ulcerostatic agent, Ranitidine (R120000).
References Beaulieu, N. et al.: J. Pharmac. Sci., 77, 889 (1988); By Haywood, P. et al.: J. Chem. Soc. Perk. Trans. Org. Bio-Org. Chem., 5, 951 (1987);

Formula: C₄H₇NO₂S₂

Color and Shape: Neat

Molecular weight: 165.23

Ref: TR-B497200

1,1-Bis-(methylthio)-2-nitroethene

CAS: 13623-94-4

1,1-Bis-(methylthio)-2-nitroethene is a versatile molecule that can be used as an imine. It is synthesized by reacting trifluoromethanesulfonic acid with the amine in the presence of a base. The imine product has been shown to bind to amines and is therefore a potential drug candidate for prostate cancer cells. 1,1-Bis-(methylthio)-2-nitroethene reacts with triflic acid to produce an intramolecular hydrogen bond, leading to its efficient synthesis. The resulting compound then undergoes reactions that are characterized by nmr spectra and profiles. This functional group is inhibitory against prostate cancer cell lines at high concentrations, although it has no effect on other cell lines.

Formula: C₄H₇NO₂S₂

Purity: Min. 95%

Molecular weight: 165.24 g/mol

Ref: 3D-IB57836