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Details

Stereochemistry ACHIRAL
Molecular Formula C3H5NS
Molecular Weight 87.144
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ETHYL ISOTHIOCYANATE

SMILES

CCN=C=S

InChI

InChIKey=HBNYJWAFDZLWRS-UHFFFAOYSA-N
InChI=1S/C3H5NS/c1-2-4-3-5/h2H2,1H3

HIDE SMILES / InChI

Molecular Formula C3H5NS
Molecular Weight 87.144
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Synthesis and structural investigation of mono- and polynuclear copper complexes of 4-ethyl-1-(pyridin-2-yl) thiosemicarbazide.
2008-11-01
Conformational stability, structural parameters and vibrational assignment from variable temperature infrared spectra of krypton solutions and ab initio calculations of ethylisothiocyanate.
2007-11
Sensitisation for cisplatin-induced apoptosis by isothiocyanate E-4IB leads to signalling pathways alterations.
2006-11-20
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.
2005-10
Paradoxical effect of synthetic hydroxy isothiocyanates on antimicrobial action of aminoglycosides.
2003-08
Diphosphanylketenimines: new reagents for the synthesis of unique phosphorus heterocycles.
2002-09-02
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 21:38:17 GMT 2025
Edited
by admin
on Mon Mar 31 21:38:17 GMT 2025
Record UNII
3284MJ2T8P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHYL ISOTHIOCYANATE
FHFI   MI  
Systematic Name English
FEMA NO. 4420
Preferred Name English
ISOTHIOCYANIC ACID, ETHYL ESTER
Common Name English
ETHYL ISOTHIOCYANATE [FHFI]
Common Name English
NSC-84212
Code English
ETHYL ISOTHIOCYANATE [MI]
Common Name English
ETHYL MUSTARD OIL
Common Name English
ETHANE, ISOTHIOCYANATO-
Systematic Name English
Code System Code Type Description
FDA UNII
3284MJ2T8P
Created by admin on Mon Mar 31 21:38:17 GMT 2025 , Edited by admin on Mon Mar 31 21:38:17 GMT 2025
PRIMARY
NSC
84212
Created by admin on Mon Mar 31 21:38:17 GMT 2025 , Edited by admin on Mon Mar 31 21:38:17 GMT 2025
PRIMARY
MESH
C039155
Created by admin on Mon Mar 31 21:38:17 GMT 2025 , Edited by admin on Mon Mar 31 21:38:17 GMT 2025
PRIMARY
ECHA (EC/EINECS)
208-831-2
Created by admin on Mon Mar 31 21:38:17 GMT 2025 , Edited by admin on Mon Mar 31 21:38:17 GMT 2025
PRIMARY
JECFA MONOGRAPH
1863
Created by admin on Mon Mar 31 21:38:17 GMT 2025 , Edited by admin on Mon Mar 31 21:38:17 GMT 2025
PRIMARY
PUBCHEM
10966
Created by admin on Mon Mar 31 21:38:17 GMT 2025 , Edited by admin on Mon Mar 31 21:38:17 GMT 2025
PRIMARY
CHEBI
85098
Created by admin on Mon Mar 31 21:38:17 GMT 2025 , Edited by admin on Mon Mar 31 21:38:17 GMT 2025
PRIMARY
MERCK INDEX
m5140
Created by admin on Mon Mar 31 21:38:17 GMT 2025 , Edited by admin on Mon Mar 31 21:38:17 GMT 2025
PRIMARY Merck Index
EPA CompTox
DTXSID2060258
Created by admin on Mon Mar 31 21:38:17 GMT 2025 , Edited by admin on Mon Mar 31 21:38:17 GMT 2025
PRIMARY
CAS
542-85-8
Created by admin on Mon Mar 31 21:38:17 GMT 2025 , Edited by admin on Mon Mar 31 21:38:17 GMT 2025
PRIMARY