1-Methylthio-3-buten-1-yne (C5H6S)

1-Methylthio-3-buten-1-yne presents a C5 framework, unsaturation (formula C5H6S, CAS 13030-50-7). ChemicalTool Reaction can propose ranked disconnections for 1-Methylthio-3-buten-1-yne from the SMILES C=CC#CSC.

Target: 1-Methylthio-3-buten-1-yne
CAS: 13030-50-7
Formula: C5H6S
Approx. MW: 98.16
SMILES: C=CC#CSC
PubChem CID: 139368
Approx. carbons: C5

1-Methylthio-3-buten-1-yne structure

Properties

Molecular weight: 98.16

View on PubChem

1-Methylthio-3-buten-1-yne 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 1-Methylthio-3-buten-1-yne?

1-Methylthio-3-buten-1-yne has molecular formula C5H6S. Molecular weight about 98.16 g·mol⁻¹.

What is the CAS number of 1-Methylthio-3-buten-1-yne?

The CAS Registry Number for 1-Methylthio-3-buten-1-yne is 13030-50-7.

Run AI retrosynthesis for 1-Methylthio-3-buten-1-yne Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C5H6S.

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.