N-Octyl isothiocyanate, 95%

cas: 4430-45-9 — see every product listed under this CAS number, including other names

N-Octyl isothiocyanate, 95% (CAS 4430-45-9) is a chemical reagent available from Chemat. Available pack sizes: 10g, 25g. Offered by: Thermo Scientific.

• 2D
• 3D

1-isothiocyanatooctane (CAS 4430-45-9) is a chemical compound with the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. IUPAC name: 1-isothiocyanatooctane. InChIKey: YEZHGQZHWKJPCM-UHFFFAOYSA-N.

Identity

Molecular formula	C9H17NS
Molecular weight	171.31 g/mol
IUPAC name	1-isothiocyanatooctane
InChIKey	YEZHGQZHWKJPCM-UHFFFAOYSA-N
SMILES	CCCCCCCCN=C=S

Computed by PubChem (NCBI)

Synonyms: Octyl isothiocyanate, 1-Isothiocyanatooctane, n-Octyl isothiocyanate, 1-octyl isothiocyanate, Isothiocyanic acid, octyl ester, YEZHGQZHWKJPCM-UHFFFAOYSA-N, octylisothiocyanate, octanisothiocyanate, Octane, 1-isothiocyanato-, n-octylisothiocyanate

Isomers (same molecular formula)

2-butan-2-yl-4,5-dimethyl-2,5-dihydro-1,3-thiazole C₉H₁₇NS

2-isothiocyanato-2,4,4-trimethylpentane C₉H₁₇NS

3-(isothiocyanatomethyl)heptane C₉H₁₇NS

(2S)-2-isothiocyanatooctane C₉H₁₇NS

N-[(1-ethylcyclopropyl)methyl]thietan-3-amine C₉H₁₇NS

N-(1-cyclopropylpropan-2-yl)thietan-3-amine C₉H₁₇NS

N-[(1R)-1-cyclobutylethyl]thietan-3-amine C₉H₁₇NS

N-[2-(1-methylcyclopropyl)ethyl]thietan-3-amine C₉H₁₇NS

N-(2,2-dimethylcyclobutyl)thietan-3-amine C₉H₁₇NS

N-cyclobutyl-2,2-dimethylthietan-3-amine C₉H₁₇NS

N-(2-cyclopropylpropyl)thietan-3-amine C₉H₁₇NS

4,5-dimethyl-2-(2-methylpropyl)-2,5-dihydro-1,3-thiazole C₉H₁₇NS