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Sulfur Compounds (Thiols, Sulfides, Sulfonates)

1-Thiocyanatopropan-2-one

Available on request

Buy 1-Thiocyanatopropan-2-one (CAS 3029-48-9) from Zemixal. Lab and bulk packs, batch COA, fast global delivery. Packs from 100 mg.

Pack sizes
1-Thiocyanatopropan-2-one chemical structure
CAS number3029-48-9
FormulaC4H5NOS
Molar mass115.16 g/mol
InChIKeyHBEQAYDPEJTYND-UHFFFAOYSA-N
IUPAC name2-oxopropyl thiocyanate

About 1-Thiocyanatopropan-2-one

Researchers and plant chemists source 1-Thiocyanatopropan-2-one from Zemixal for routine and specialised work. Identity at a glance: CAS 3029-48-9, formula C4H5NOS and molar mass 115.16 g/mol.

Use cases we see most often

  • Organic synthesis
  • API synthesis

Safe handling

Classified under GHS with signal word Danger and hazard statements H301, H302, H314 and H315. Read the SDS before first use.

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. Request pricing online and we confirm availability, documentation and freight to your country.

Typical uses

  • Organic synthesis
  • API synthesis

Applications

Pharmaceutical Manufacturing and QCResearch Labs and Universities

Specifications and identifiers

Specifications of 1-Thiocyanatopropan-2-one
Product name1-Thiocyanatopropan-2-one
Catalogue numberZX-041777
CAS number3029-48-9
IUPAC name2-oxopropyl thiocyanate
Molecular formulaC4H5NOS
Molar mass115.16 g/mol
Exact mass115.0092
XLogP30.7
H-bond donors / acceptors0 / 3
Topological polar surface area66.2 Ų
InChIKeyHBEQAYDPEJTYND-UHFFFAOYSA-N
SMILESCC(=O)CSC#N
PubChem CID12499358
Synonyms1-(cyanosulfanyl)propan-2-one, Thiocyanic acid, 2-oxopropyl ester, thiocyano-acetone, Thiocyanatoacetone, acetonyl thiocyanate, (2-oxopropyl)thiocarbonitrile

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

Safety and GHS hazards

GHS05 Corrosive
Corrosive
GHS06 Acute toxicity
Acute toxicity
GHS07 Irritant or harmful
Irritant or harmful

Signal word Danger

  • H301Toxic if swallowed
  • H302Harmful if swallowed
  • H314Causes severe skin burns and eye damage
  • H315Causes skin irritation
  • H319Causes serious eye irritation
  • H335May cause respiratory irritation

Precautionary statements P260, P261, P264, P264 + P265, P270, P271, P280, P301 + P316, P301 + P317, P301 + P330 + P331, P302 + P352, P302 + P361 + P354, P304 + P340, P305 + P351 + P338, P305 + P354 + P338, P316, P319, P321, P330, P332 + P317, P337 + P317, P362 + P364, P363, P403 + P233

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 1-Thiocyanatopropan-2-one
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 1-Thiocyanatopropan-2-one

Which CAS number identifies 1-Thiocyanatopropan-2-one?
1-Thiocyanatopropan-2-one is registered under CAS 3029-48-9. You may also see it listed as 1-(cyanosulfanyl)propan-2-one, Thiocyanic acid, 2-oxopropyl ester, thiocyano-acetone. Our catalogue number for this item is ZX-041777.
What are the formula and molar mass of 1-Thiocyanatopropan-2-one?
For 1-Thiocyanatopropan-2-one, its formula is C4H5NOS and its molar mass is 115.16 g/mol. The systematic (IUPAC) name is 2-oxopropyl thiocyanate. InChIKey HBEQAYDPEJTYND-UHFFFAOYSA-N lets you match it in any structure database.
What grade and pack sizes are available for 1-Thiocyanatopropan-2-one?
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 1-Thiocyanatopropan-2-one?
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 1-Thiocyanatopropan-2-one to my country?
Yes. Because 1-Thiocyanatopropan-2-one 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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