Methyl isothiocyanate (C2H3NS)

Looking for routes to Methyl Isothiocyanate? Methyl Isothiocyanate presents a C2 framework. Use the planner with prefilled SMILES, or copy CN=C=S (CAS 556-61-6).

Target: Methyl isothiocyanate
CAS: 556-61-6
Formula: C2H3NS
Approx. MW: 73.11
SMILES: CN=C=S
PubChem CID: 11167
Approx. carbons: C2

Methyl isothiocyanate structure

Properties

Molecular weight: 73.11

View on PubChem

Methyl isothiocyanate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Methyl isothiocyanate?

Methyl isothiocyanate has molecular formula C2H3NS. Molecular weight about 73.11 g·mol⁻¹.

What is the CAS number of Methyl isothiocyanate?

The CAS Registry Number for Methyl isothiocyanate is 556-61-6.

Run AI retrosynthesis for Methyl isothiocyanate Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C2H3NS.

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.