CAS 4430-45-9

1-Isothiocyanatooctane

Description:

1-Isothiocyanatooctane, with the CAS number 4430-45-9, is an organic compound belonging to the isothiocyanate family. It features a long hydrocarbon chain, specifically an octane backbone, which contributes to its hydrophobic characteristics. The presence of the isothiocyanate functional group (-N=C=S) imparts unique reactivity, making it a valuable compound in organic synthesis and potential applications in agrochemicals and pharmaceuticals. This compound is typically a colorless to pale yellow liquid with a pungent odor, characteristic of isothiocyanates. It is known for its ability to react with nucleophiles, which can lead to the formation of various derivatives. Additionally, 1-isothiocyanatooctane may exhibit biological activity, including antimicrobial properties, although specific biological effects can vary based on concentration and environmental conditions. Handling this compound requires caution due to its potential irritant properties. Overall, 1-isothiocyanatooctane serves as an interesting subject for research in both synthetic chemistry and biological applications.

Formula: C₉H₁₇NS

InChI: InChI=1S/C9H17NS/c1-2-3-4-5-6-7-8-10-9-11/h2-8H2,1H3

InChI key: InChIKey=YEZHGQZHWKJPCM-UHFFFAOYSA-N

SMILES: C(CCCCC)CCN=C=S

Synonyms:

• 1-Isothiocyanatooctane
• 1-Octyl isothiocyanate
• Isothiocyanic acid, octyl ester
• Octane, 1-isothiocyanato-
• n-OCTYLISOTHIOCYANATE
• n-Octyl isothiocyanate
• Octyl isothiocyanate

n-Octyl Isothiocyanate

CAS: 4430-45-9

Formula: C₉H₁₇NS

Purity: >98.0%(GC)

Color and Shape: Colorless to Light yellow clear liquid

Molecular weight: 171.30

Ref: 3B-O0464

1-Octyl isothiocyanate, 97%

CAS: 4430-45-9

1-Octyl isothiocyanate can be used to produce 1-(6-methyl-quinolin-2-yl)-3-octyl-thiourea. It is used as intermediates in pharmaceutical industry. This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refe

Formula: C₉H₁₇NS

Purity: 97%

Color and Shape: Clear colorless, Liquid

Molecular weight: 171.30

Ref: 02-A14501

Octyl isothiocyanate

CAS: 4430-45-9

Formula: C₉H₁₇NS

Purity: 98%

Color and Shape: Liquid

Molecular weight: 171.3030

Ref: IN-DA003TH2

octyl isothiocyanate

CAS: 4430-45-9

octyl isothiocyanate

Purity: 98%

Molecular weight: 171.30298g/mol

Ref: 54-OR30194

Octyl isothiocyanate

CAS: 4430-45-9

Formula: C₉H₁₇NS

Purity: 99.0%

Color and Shape: Liquid

Molecular weight: 171.3

Ref: 10-F009554