2-Methyl-2-Butanethiol (C5H12S)

2-Methyl-2-Butanethiol (C5H12S; CAS 1679-09-0) is a practical retrosynthesis target. 2-Methyl-2-Butanethiol presents a C5 framework. Open AI route search in one click below.

Target: 2-Methyl-2-Butanethiol
CAS: 1679-09-0
Formula: C5H12S
Approx. MW: 104.21
SMILES: CCC(C)(C)S
PubChem CID: 15511
Approx. carbons: C5

2-Methyl-2-Butanethiol structure

Properties

IUPAC name: 2-methylbutane-2-thiol
Common names: 2-METHYL-2-BUTANETHIOL; 2-Methylbutane-2-thiol; tert-Amyl mercaptan; 1679-09-0; tert-Amylthiol; 2-Butanethiol, 2-methyl-; tert-Pentyl mercaptan; 2-Methybutane-2-thiol; 2-tert-Pentyl mercaptan; 1,1-dimethyl-1-propanethiol
Molecular weight: 104.22
Exact mass: 104.07
InChIKey: IQIBYAHJXQVQGB-UHFFFAOYSA-N

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2-Methyl-2-Butanethiol 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 2-Methyl-2-Butanethiol?

2-Methyl-2-Butanethiol has molecular formula C5H12S. Molecular weight about 104.21 g·mol⁻¹.

What is the CAS number of 2-Methyl-2-Butanethiol?

The CAS Registry Number for 2-Methyl-2-Butanethiol is 1679-09-0.

Run AI retrosynthesis for 2-Methyl-2-Butanethiol Target catalog AI tools overview

One click loads 2-Methyl-2-Butanethiol into ChemicalHelper Reaction for route exploration.

Related targets

Similar compounds

2-(Ethylthio)propane 3-Methyl-1-butanethiol

Browse the full target catalog

References & tools

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