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542-85-8,MFCD00004820
Catalog No.:AA003QCT

542-85-8 | Ethyl isothiocyanate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$24.00   $17.00
- +
25g
98%
in stock  
$45.00   $32.00
- +
100g
97%
in stock  
$120.00   $84.00
- +
500g
97%
in stock  
$444.00   $311.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003QCT
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
FEMA Number:
4420
Properties
Properties
 
BP:
131.5°C  
Form:
Liquid  
MP:
-6 °C  
Refractive Index:
n20/D 1.512(lit.)  
Stability:
Moisture Sensitive  
Storage:
Inert atmosphere;2-8℃;  

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

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

Journal: Acta crystallographica. Section E, Structure reports online 20120501

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

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20111104

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

Journal: Pest management science 20110701

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

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20081101

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

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20071101

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

Journal: British journal of cancer 20061120

Title: 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: Journal of the American Society for Mass Spectrometry 20051001

Title: Paradoxical effect of synthetic hydroxy isothiocyanates on antimicrobial action of aminoglycosides.

Journal: Bioscience, biotechnology, and biochemistry 20030801

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

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20020902

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