Products 17701-76-7

CAS 17701-76-7 is the registry number for tert-Octyl isothiocyanate, 95%. Offered by: Combi-blocks. Available pack sizes: 5g, 1g.

tert-Octyl isothiocyanate, 95%
Combi-blocks
  • size: 5g, 1g
  • Variants: 2
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Structural formula: {0} (CAS {1})

2-isothiocyanato-2,4,4-trimethylpentane (CAS 17701-76-7) is a chemical compound with the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. IUPAC name: 2-isothiocyanato-2,4,4-trimethylpentane. InChIKey: KUGHMFIBHMZICO-UHFFFAOYSA-N.

Identity
Molecular formulaC9H17NS
Molecular weight171.31 g/mol
IUPAC name2-isothiocyanato-2,4,4-trimethylpentane
InChIKeyKUGHMFIBHMZICO-UHFFFAOYSA-N
SMILESCC(C)(C)CC(C)(C)N=C=S

Computed by PubChem (NCBI)

Synonyms: Pentane, 2-isothiocyanato-2,4,4-trimethyl-, 1,1,3,3-Tetramethylbutyl isothiocyanate, tert-Octyl isothiocyanate, 2-Isothiocyanato-2,4,4-trimethylpentane, 2-isothiocyanato-2,4,4-trimethyl-pentane, tert-octylisothiocyanate, t-octylisothiocyanate, NCIOpen2_000105, tert-Octyl isothiocyanate, 97%, 2-Isothiocyanato-2,4,4-trimethylpentane #
Isomers (same molecular formula)
1-isothiocyanatooctane C9H17NS
2-butan-2-yl-4,5-dimethyl-2,5-dihydro-1,3-thiazole 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