2-(Isobutylthio)ethanol (C6H14OS)

2-(Isobutylthio)ethanol (C6H14OS; CAS 42779-10-2) is a practical retrosynthesis target. 2-(Isobutylthio)ethanol presents a C6 framework, alcohol functionality. Open AI route search in one click below.

Target: 2-(Isobutylthio)ethanol
CAS: 42779-10-2
Formula: C6H14OS
Approx. MW: 134.24
SMILES: CC(C)CSCCO
PubChem CID: 545870
Approx. carbons: C6

2-(Isobutylthio)ethanol structure

Properties

IUPAC name: 2-(2-methylpropylsulfanyl)ethanol
Common names: 2-(Isobutylthio)ethanol; 42779-10-2; 2-(2-methylpropylsulfanyl)ethanol; 2-Hydroxyethyl isobutyl sulfide; 2-(Isobutylthio)ethan-1-ol; 2-isobutylsulfanylethanol; 2-(Isobutylsulfanyl)ethanol; SCHEMBL1148911; SCHEMBL4398085; PSCYOFJZGIAXOL-UHFFFAOYSA-N
Molecular weight: 134.24
Exact mass: 134.08
InChIKey: PSCYOFJZGIAXOL-UHFFFAOYSA-N

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2-(Isobutylthio)ethanol 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 2-(Isobutylthio)ethanol?

2-(Isobutylthio)ethanol has molecular formula C6H14OS. Molecular weight about 134.24 g·mol⁻¹.

What is the CAS number of 2-(Isobutylthio)ethanol?

The CAS Registry Number for 2-(Isobutylthio)ethanol is 42779-10-2.

Run AI retrosynthesis for 2-(Isobutylthio)ethanol Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C6H14OS.

Related targets

Similar compounds

2-(Butylthio)ethanol 1-(2-Hydroxyethyl)pyrrolidin-2-one 1-Hexanol 1-Hexen-3-Ol 1-Hexyn-3-Ol 1-Methylpiperidin-4-ol

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References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.