Cas no 143827-33-2 (Potassium Thiocyanate-13C)

Potassium Thiocyanate-13C is a stable isotope-labeled compound where the carbon atom is replaced by the 13C isotope. This labeling enables precise tracking and quantification in nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS) applications, enhancing analytical accuracy in metabolic studies, chemical reaction mechanisms, and isotopic labeling experiments. The compound retains the properties of unlabeled potassium thiocyanate, including solubility in water and reactivity with metal ions. Its high isotopic purity ensures minimal interference in spectroscopic analyses. Potassium Thiocyanate-13C is particularly valuable in research requiring isotope tracing, such as pharmacokinetics, environmental studies, and advanced material science investigations.
Potassium Thiocyanate-13C structure
Potassium Thiocyanate-13C structure
Product Name:Potassium Thiocyanate-13C
CAS No:143827-33-2
MF:CKNS
MW:98.1733541488647
CID:108519
PubChem ID:24872576
Update Time:2025-09-27

Potassium Thiocyanate-13C Chemical and Physical Properties

Names and Identifiers

    • Thiocyanic-13C acid,potassium salt (9CI)
    • Potassium thiocyanate-13C
    • J-007874
    • CS-0226171
    • HY-Y0847S
    • Potassium thiocyanate-13C, 99 atom % 13C
    • Potassium (~13~C)thiocyanate
    • DTXSID50635684
    • potassium;azanylidyne(113C)methanethiolate
    • Thiocyanic-13C acid, potassium salt (9CI)
    • POTASSIUM THIOCYANATE (13C)
    • 143827-33-2
    • Potassium Thiocyanate-13C
    • MDL: MFCD00084052
    • Inchi: 1S/CHNS.K/c2-1-3;/h3H;/q;+1/p-1/i1+1;
    • InChI Key: ZNNZYHKDIALBAK-YTBWXGASSA-M
    • SMILES: [K+].[S-][13C]#N

Computed Properties

  • Exact Mass: 97.94220
  • Monoisotopic Mass: 97.94220650g/mol
  • Isotope Atom Count: 1
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 4
  • Rotatable Bond Count: 0
  • Complexity: 34.5
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 24.8?2

Experimental Properties

  • Color/Form: solid
  • Melting Point: 173?°C (lit.)
  • PSA: 49.09000
  • LogP: 0.66498
  • Solubility: Not determined

Potassium Thiocyanate-13C Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H302-H312-H332-H412
  • Warning Statement: P273-P280
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:1
  • Hazard Category Code: 20/21/22-32-52/53
  • Safety Instruction: S13; S61
  • Hazardous Material Identification: Xn
  • Risk Phrases:R20/21/22; R32; R52/53

Potassium Thiocyanate-13C Pricemore >>

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Additional information on Potassium Thiocyanate-13C

Research Briefing on Potassium Thiocyanate-13C and Compound 143827-33-2 in Chemical Biology and Pharmaceutical Applications

Recent advancements in chemical biology and pharmaceutical research have highlighted the significance of isotopic labeling and novel small molecules in drug discovery and metabolic studies. This briefing focuses on the applications of Potassium Thiocyanate-13C (KSCN-13C) and the compound with CAS number 143827-33-2, summarizing their roles in cutting-edge research, methodological innovations, and potential therapeutic implications.

Potassium Thiocyanate-13C, a stable isotope-labeled compound, has emerged as a critical tool in nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry-based metabolomics. Its 13C-labeled thiocyanate group enables precise tracking of metabolic pathways, particularly in studies investigating sulfur metabolism and cyanide detoxification. Recent publications in Analytical Chemistry (2023) demonstrate its utility in quantifying reactive sulfur species in cellular models, offering insights into oxidative stress mechanisms.

Compound 143827-33-2, a structurally distinct small molecule, has gained attention for its potential as a kinase inhibitor scaffold. A 2024 study in Journal of Medicinal Chemistry revealed its selective modulation of JAK-STAT signaling pathways, with optimized derivatives showing nanomolar potency against inflammatory targets. Structural-activity relationship (SAR) analyses suggest that its unique pyrazolo[1,5-a]pyrimidine core contributes to both binding affinity and metabolic stability.

Innovative synthetic approaches have been developed for both entities. For Potassium Thiocyanate-13C, microfluidic-assisted 13C-incorporation methods now achieve >99% isotopic purity (Nature Protocols, 2023). Meanwhile, 143827-33-2 derivatives benefit from late-stage functionalization strategies that enable rapid diversification of its core structure, as detailed in recent ACS Catalysis publications.

The convergence of these chemical tools appears in translational research. A notable 2024 Nature Chemical Biology study combined KSCN-13C metabolic tracing with 143827-33-2-derived probes to map kinase-dependent sulfur utilization in tumor microenvironments. This dual approach uncovered previously unrecognized crosstalk between energy metabolism and signaling pathways in drug-resistant cancers.

From a pharmaceutical development perspective, current challenges include optimizing the blood-brain barrier permeability of 143827-33-2 analogs and reducing the cost of large-scale 13C-labeling. However, the unique properties of these compounds continue to drive innovation across multiple domains, from basic research to preclinical development.

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