542-85-8 | Ethyl isothiocyanate

Packsize	Purity	Availability	Price	Discounted Price
5g	98%	in stock	$24.00	$17.00
25g	97%	in stock	$42.00	$30.00
100g	97%	in stock	$114.00	$80.00
500g	97%	in stock	$418.00	$293.00

Description

• Catalog Number: AB74025
• Chemical Name: Ethyl isothiocyanate
• CAS Number: 542-85-8
• Molecular Formula: C3H5NS
• Molecular Weight: 87.1435
• MDL Number: MFCD00004820
• SMILES: CCN=C=S
• NSC Number: 84212

Computed Properties

• Complexity: 53.9
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 5
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• XLogP3: 1.5

Literature

• 3-(Adamantan-1-yl)-4-ethyl-1H-1,2,4-triazole-5(4H)-thione.

  Acta crystallographica. Section E, Structure reports online 20120501

• Versatile stereoselective cycloadditions between heterocumulenes and phosphagermaallene Tip(tBu)Ge=C=PMes*: experimental and theoretical investigations.

  Chemistry (Weinheim an der Bergstrasse, Germany) 20111104

• In vitro and in vivo antifungal activity of synthetic pure isothiocyanates against Sclerotinia sclerotiorum.

  Pest management science 20110701

• Synthesis and structural investigation of mono- and polynuclear copper complexes of 4-ethyl-1-(pyridin-2-yl) thiosemicarbazide.

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20081101

• Conformational stability, structural parameters and vibrational assignment from variable temperature infrared spectra of krypton solutions and ab initio calculations of ethylisothiocyanate.

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20071101

• Sensitisation for cisplatin-induced apoptosis by isothiocyanate E-4IB leads to signalling pathways alterations.

  British journal of cancer 20061120

• Cyclization reactions of acylium and thioacylium ions with isocyanates and isothiocyanates: gas phase synthesis of 3,4-dihydro-2,4-dioxo-2H-1,3,5-oxadiazinium ions.

  Journal of the American Society for Mass Spectrometry 20051001

• Paradoxical effect of synthetic hydroxy isothiocyanates on antimicrobial action of aminoglycosides.

  Bioscience, biotechnology, and biochemistry 20030801

• Diphosphanylketenimines: new reagents for the synthesis of unique phosphorus heterocycles.

  Chemistry (Weinheim an der Bergstrasse, Germany) 20020902