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Home/Compounds/CAS 542-85-8
Formula C3H5NSMW 87.15Research-use catalog entryCOA/SDS by request

Ethyl isothiocyanate

CAS Number: 542-85-8

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Loading RDKit molecule structure...
InChIKey: HBNYJWAFDZLWRS-UHFFFAOYSA-NC3H5NS | MW 87.15

Chemical Absolute Identifiers

CAS Number

542-85-8

PubChem CID

10966

Molecular Formula

C3H5NS

Molecular Weight

87.15 g/mol

Exact Mass

87.01427

InChIKey

HBNYJWAFDZLWRS-UHFFFAOYSA-N

IUPAC Name

isothiocyanatoethane

SMILES String

CCN=C=S

Physical Properties

Boiling Point

13–132 °C

Density

0.997 g/cm³

Show more physical data

Refractive Index

1.51

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Catalog Facts

Structural features

Ethyl isothiocyanate (CAS 542-85-8) is listed in the Advanced Chemicals portfolio, with molecular formula C3H5NS and molecular weight 87. 15 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Intended for research building-block and synthetic chemistry workflows.

Documentation needs

COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.

Applications & Classification

Organic Building BlocksSynthetic ChemistryResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

Safety & Handling

Safety and handling reference content is available through documentation requests.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

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Names & Synonyms / External Identifiers

Chemical Name

Ethyl isothiocyanate

Names & Synonyms

Ethane, isothiocyanato-ETHYLISOTHIOCYANATEIsothiocyanic acid, ethyl esterFEMA NO. 4420isothiocyanato-ethane
Show all synonyms
CCRIS 7323Isothiocyanic Acid Ethyl Esterethylisothio-cyanate1-Isothiocyanatoethane #ETHYL ISOTHIOCYANATE [MI]ETHYL ISOTHIOCYANATE [FHFI]I0188
External Identifiers
EC NUMBER: 208-831-2DSSTOX SUBSTANCE ID: DTXSID2060258CHEMBL ID: CHEMBL2251727CHEBI ID: CHEBI:85098UNII: 3284MJ2T8PHMDB ID: HMDB0303226WIKIDATA ID: Q27158332
Experimental Spectrum References
13C NMR Spectra15N NMR Spectra1H NMR SpectraATR-IR SpectraFTIR Spectra — Sigma-Aldrich Co. LLC.Near IR Spectra — Prof. Buback, University of Goettingen, GermanyRaman SpectraUV-VIS SpectraVapor Phase IR Spectra
Literature & Patent References
DOI 10.1007/s00044-012-0323-4Synthesis and structureactivity relationships of aliphatic isothiocyanate analogs as antibiotic agentsDOI 10.1002/ps.2126In vitro and in vivo antifungal activity of synthetic pure isothiocyanates against Sclerotinia sclerotiorum.DOI 10.1016/j.cropro.2010.09.004Nematicidal efficacy of isothiocyanates against root-knot nematode Meloidogyne javanica in cucumberPMID 21370393In vitro and in vivo antifungal activity of synthetic pure isothiocyanates against Sclerotinia sclerotiorum.

Documentation & Compliance Facts

Compliance Facts

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference

What happens after RFQ

  1. 1We review the CAS identity, quantity, and documentation request.
  2. 2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
  3. 3We review destination and shipment documentation needs when applicable.
  4. 4We follow up with a quotation or clarification request.

Text Reference Cues

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Non-public related references

Heptane, 1-isothiocyanato-CAS 4426-83-9
2-Methoxyethyl isothiocyanateCAS 38663-85-3
3-((Dimethylamino)phenyl isothiocyanateCAS 27421-70-1
Benzyl IsothiocyanateCAS 622-78-6
4-Methoxybenzyl isothiocyanateCAS 3694-57-3

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Related Catalog Entries

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.

CAS 4426-83-9Heptane, 1-isothiocyanato-CAS 38663-85-32-Methoxyethyl isothiocyanateCAS 1002310-00-0Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamateCAS 1005174-17-3(E)-3-(2-Propyl-6-(trifluoromethyl)pyridin-3-yl)acrylic acidCAS 1018125-49-92-(3-Cyclopropyl-6-ethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acidCAS 1018128-07-8Isopropyl 4-chloro-2-methylquinoline-6-carboxylateCAS 1018142-22-76-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acidCAS 1018144-00-72-(3-Cyclopropyl-6-isopropyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

RFQ questions for CAS 542-85-8

What are the key identifiers for Ethyl isothiocyanate (CAS 542-85-8)?

Ethyl isothiocyanate is identified by CAS 542-85-8, with molecular formula C3H5NS, molecular weight 87.15, InChIKey HBNYJWAFDZLWRS-UHFFFAOYSA-N.

Can I request a COA for CAS 542-85-8?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for Ethyl isothiocyanate?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 542-85-8 available for quotation?

Availability, pack size, lead time, and pricing are confirmed through RFQ.

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