CAS 3386-97-8

3-Butenyl isothiocyanate

Description:

3-Butenyl isothiocyanate, with the CAS number 3386-97-8, is an organic compound characterized by its isothiocyanate functional group attached to a butenyl chain. It is typically a colorless to pale yellow liquid with a pungent odor, reminiscent of mustard or horseradish, which is common among isothiocyanates. This compound is known for its potential biological activity, including antimicrobial and anticancer properties, making it of interest in both food science and medicinal chemistry. It is soluble in organic solvents and exhibits moderate stability under standard conditions. 3-Butenyl isothiocyanate can be synthesized from the corresponding precursor compounds, often derived from cruciferous vegetables, which are known to contain glucosinolates that can yield isothiocyanates upon enzymatic hydrolysis. Due to its reactive nature, it can participate in various chemical reactions, including nucleophilic substitutions and additions, which can be exploited in synthetic organic chemistry. Safety precautions should be taken when handling this compound, as it can be irritating to the skin and respiratory system.

Formula: C₅H₇NS

InChI: InChI=1S/C5H7NS/c1-2-3-4-6-5-7/h2H,1,3-4H2

InChI key: InChIKey=SKIHGKNFJKJXPX-UHFFFAOYSA-N

SMILES: C(CC=C)N=C=S

Synonyms:

• 1-Butene, 4-isothiocyanato-
• 1-Butene-4-isothiocyanate
• 3-Buten-1-yl Isothiocyanate
• 4-Isothiocyanato-1-butene
• 4-Isothiocyanatobut-1-Ene
• Isothiocyanic acid, 3-butenyl ester
• 3-Butenyl isothiocyanate

3-Buten-1-yl Isothiocyanate

CAS: 3386-97-8

Formula: C₅H₇NS

Purity: >96.0%(GC)

Color and Shape: Colorless to Light orange to Yellow clear liquid

Molecular weight: 113.18

Ref: 3B-I0443

1-​Butene, 4-​isothiocyanato-

CAS: 3386-97-8

Formula: C₅H₇NS

Purity: 96%

Color and Shape: Solid

Molecular weight: 113.1808

Ref: IN-DA003R5P

Isothiocyanic acid 3-buten-1-yl ester

CAS: 3386-97-8

Isothiocyanic acid 3-buten-1-yl ester

Formula: C₅H₇NS

Purity: 96%

Color and Shape: colourless liquid

Molecular weight: 113.18g/mol

Ref: 54-OR937510

3-Butenyl isothiocyanate

Controlled Product

CAS: 3386-97-8

Formula: C₅H₇NS

Color and Shape: Neat

Molecular weight: 113.18

Ref: TR-B999100