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Sulfur Compounds (Thiols, Sulfides, Sulfonates)

Isothiocyanatoethane

Available on request

Isothiocyanatoethane (CAS 542-85-8) supplier Zemixal: C3H5NS, COA and SDS with every lot, worldwide shipping. Catalogue no. ZX-045138.

Pack sizes
Isothiocyanatoethane chemical structure
CAS number542-85-8
FormulaC3H5NS
Molar mass87.15 g/mol
InChIKeyHBNYJWAFDZLWRS-UHFFFAOYSA-N
IUPAC nameisothiocyanatoethane

About Isothiocyanatoethane

Zemixal supplies Isothiocyanatoethane within its pharma Intermediates & Building Blocks portfolio. Key data: CAS 542-85-8, formula C3H5NS and molar mass 87.15 g/mol.

Typical applications

  • Organic synthesis
  • API synthesis

Handling and storage

It carries the GHS signal word Danger (H226, H301, H311 and H314), so wear gloves and eye protection and work with good ventilation.

Order it in 100 mg, 250 mg, 1 g and 5 g packs or ask for a bulk quotation. Each lot travels with a batch certificate of analysis and a 16-section SDS. Send an enquiry through the quote panel and you get a formal offer with Incoterms and delivery time.

Typical uses

  • Organic synthesis
  • API synthesis

Applications

Specifications and identifiers

Specifications of Isothiocyanatoethane
Product nameIsothiocyanatoethane
Catalogue numberZX-045138
CAS number542-85-8
IUPAC nameisothiocyanatoethane
Molecular formulaC3H5NS
Molar mass87.15 g/mol
Exact mass87.0143
XLogP31.5
H-bond donors / acceptors0 / 2
Topological polar surface area44.5 Ų
InChIKeyHBNYJWAFDZLWRS-UHFFFAOYSA-N
SMILESCCN=C=S
PubChem CID10966
SynonymsEthyl isothiocyanate, Ethane, isothiocyanato-, Isothiocyanic acid, ethyl ester, Isothiocyanic Acid Ethyl Ester, ethylisothio-cyanate, 1-Isothiocyanatoethane #

Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.

Safety and GHS hazards

GHS02 Flammable
Flammable
GHS05 Corrosive
Corrosive
GHS06 Acute toxicity
Acute toxicity
GHS07 Irritant or harmful
Irritant or harmful
GHS08 Health hazard
Health hazard
GHS09 Hazardous to the environment
Hazardous to the environment

Signal word Danger

  • H226Flammable liquid and vapor
  • H301Toxic if swallowed
  • H311Toxic in contact with skin
  • H314Causes severe skin burns and eye damage
  • H317May cause an allergic skin reaction
  • H330Fatal if inhaled
  • H331Toxic if inhaled
  • H334May cause allergy or asthma symptoms or breathing difficulties if inhaled
  • H400Very toxic to aquatic life

Precautionary statements P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P272, P273, P280, P284, P301 + P316, P301 + P330 + P331, P302 + P352, P302 + P361 + P354, P303 + P361 + P353, P304 + P340, P305 + P354 + P338, P316

Classification summarised from public GHS notifications. It can vary with grade and concentration, so always follow the SDS supplied with your lot.

Pack sizes

Pack sizes of Isothiocyanatoethane
100 mgQuoted on request
250 mgQuoted on request
1 gQuoted on request
5 gQuoted on request

Need a different size? Bulk drums and custom packing are quoted on request through the quote form on this page.

Questions about Isothiocyanatoethane

Which CAS number identifies Isothiocyanatoethane?
Isothiocyanatoethane is registered under CAS 542-85-8. You may also see it listed as Ethyl isothiocyanate, Ethane, isothiocyanato-, Isothiocyanic acid, ethyl ester. Our catalogue number for this item is ZX-045138.
What are the formula and molar mass of Isothiocyanatoethane?
For Isothiocyanatoethane, its formula is C3H5NS and its molar mass is 87.15 g/mol. The systematic (IUPAC) name is isothiocyanatoethane. InChIKey HBNYJWAFDZLWRS-UHFFFAOYSA-N lets you match it in any structure database.
What grade and pack sizes are available for Isothiocyanatoethane?
The grade and assay are confirmed on the quotation and the batch COA. Standard packs are 100 mg, 250 mg, 1 g, 5 g. Larger quantities and custom packing can be quoted on request.
Which documents come with Isothiocyanatoethane?
Each lot ships with a batch certificate of analysis and a 16-section GHS safety data sheet. A typical COA or specification sheet can be shared with the quotation before you order.
Can Zemixal ship Isothiocyanatoethane to my country?
Yes. Because Isothiocyanatoethane is classed as hazardous, it travels in UN-approved packaging as dangerous goods under IATA or IMDG rules, with the export paperwork your broker needs.

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