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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
Diphosphanylketenimines: new reagents for the synthesis of unique phosphorus heterocycles.
2002 Sep 2
Paradoxical effect of synthetic hydroxy isothiocyanates on antimicrobial action of aminoglycosides.
2003 Aug
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 Oct
Sensitisation for cisplatin-induced apoptosis by isothiocyanate E-4IB leads to signalling pathways alterations.
2006 Nov 20
Conformational stability, structural parameters and vibrational assignment from variable temperature infrared spectra of krypton solutions and ab initio calculations of ethylisothiocyanate.
2007 Nov
Synthesis and structural investigation of mono- and polynuclear copper complexes of 4-ethyl-1-(pyridin-2-yl) thiosemicarbazide.
2008 Nov 1
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 06:48:51 GMT 2023
Edited
by admin
on Sat Dec 16 06:48:51 GMT 2023
Record UNII
3284MJ2T8P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHYL ISOTHIOCYANATE
FHFI   MI  
Systematic 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
FEMA NO. 4420
Code English
ETHANE, ISOTHIOCYANATO-
Systematic Name English
Code System Code Type Description
FDA UNII
3284MJ2T8P
Created by admin on Sat Dec 16 06:48:51 GMT 2023 , Edited by admin on Sat Dec 16 06:48:51 GMT 2023
PRIMARY
NSC
84212
Created by admin on Sat Dec 16 06:48:51 GMT 2023 , Edited by admin on Sat Dec 16 06:48:51 GMT 2023
PRIMARY
MESH
C039155
Created by admin on Sat Dec 16 06:48:51 GMT 2023 , Edited by admin on Sat Dec 16 06:48:51 GMT 2023
PRIMARY
ECHA (EC/EINECS)
208-831-2
Created by admin on Sat Dec 16 06:48:51 GMT 2023 , Edited by admin on Sat Dec 16 06:48:51 GMT 2023
PRIMARY
JECFA MONOGRAPH
1863
Created by admin on Sat Dec 16 06:48:51 GMT 2023 , Edited by admin on Sat Dec 16 06:48:51 GMT 2023
PRIMARY
PUBCHEM
10966
Created by admin on Sat Dec 16 06:48:51 GMT 2023 , Edited by admin on Sat Dec 16 06:48:51 GMT 2023
PRIMARY
CHEBI
85098
Created by admin on Sat Dec 16 06:48:51 GMT 2023 , Edited by admin on Sat Dec 16 06:48:51 GMT 2023
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MERCK INDEX
m5140
Created by admin on Sat Dec 16 06:48:51 GMT 2023 , Edited by admin on Sat Dec 16 06:48:51 GMT 2023
PRIMARY Merck Index
EPA CompTox
DTXSID2060258
Created by admin on Sat Dec 16 06:48:51 GMT 2023 , Edited by admin on Sat Dec 16 06:48:51 GMT 2023
PRIMARY
CAS
542-85-8
Created by admin on Sat Dec 16 06:48:51 GMT 2023 , Edited by admin on Sat Dec 16 06:48:51 GMT 2023
PRIMARY