Ethyl thiocyanate (C3H5NS)

Looking for routes to Ethyl Thiocyanate? Ethyl Thiocyanate presents a C3 framework, basic nitrogen. Use the planner with prefilled SMILES, or copy CCSC#N (CAS 542-90-5).

Target: Ethyl thiocyanate
CAS: 542-90-5
Formula: C3H5NS
Approx. MW: 87.14
SMILES: CCSC#N
PubChem CID: 10968
Approx. carbons: C3

Ethyl thiocyanate structure

Properties

IUPAC name: ethyl thiocyanate
Common names: ETHYL THIOCYANATE; 542-90-5; Ethylthiocyanate; Thiocyanic acid, ethyl ester; Ethyl rhodanate; Ethyl sulfocyanate; Aethylrhodanid; Ethyl rhodanide; Ethane, thiocyanato-; Ethylthiokyanat
Molecular weight: 87.15
Exact mass: 87.01
InChIKey: WFCLYEAZTHWNEH-UHFFFAOYSA-N
Melting point: -122 °F (EPA, 1998)
Boiling point: 295 °F at 760 mmHg (EPA, 1998)
Density: 1.007 at 73.4 °F (EPA, 1998) - Denser than water; will sink

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Ethyl thiocyanate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Ethyl thiocyanate?

Ethyl thiocyanate has molecular formula C3H5NS. Molecular weight about 87.14 g·mol⁻¹.

What is the CAS number of Ethyl thiocyanate?

The CAS Registry Number for Ethyl thiocyanate is 542-90-5.

Run AI retrosynthesis for Ethyl thiocyanate Target catalog AI tools overview

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Related targets

Similar compounds

(2R)-2-hydroxypropanamide 2-Chloroacrylonitrile 2-Chloropropionamide 2-Cyanoacetamide 2-Cyanoethyltrichlorosilane 2-Imidazolidone

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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.