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Details

Stereochemistry ACHIRAL
Molecular Formula C4H5NO2S
Molecular Weight 131.153
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Ethoxycarbonyl isothiocyanate

SMILES

CCOC(=O)N=C=S

InChI

InChIKey=BDTDECDAHYOJRO-UHFFFAOYSA-N
InChI=1S/C4H5NO2S/c1-2-7-4(6)5-3-8/h2H2,1H3

HIDE SMILES / InChI

Molecular Formula C4H5NO2S
Molecular Weight 131.153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:26:44 GMT 2023
Edited
by admin
on Sat Dec 16 12:26:44 GMT 2023
Record UNII
WQY39AV49E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ethoxycarbonyl isothiocyanate
Systematic Name English
NSC-158480
Code English
Ethyl carbonisothiocyanatidate
Systematic Name English
Carbon(isothiocyanatidic) acid, ethyl ester
Systematic Name English
Ethyl isothiocyanatoformate
Systematic Name English
Carbethoxyisothiocyanate
Systematic Name English
O-Ethyl carbonisothiocyanatidate
Systematic Name English
Code System Code Type Description
PUBCHEM
85320
Created by admin on Sat Dec 16 12:26:44 GMT 2023 , Edited by admin on Sat Dec 16 12:26:44 GMT 2023
PRIMARY
EPA CompTox
DTXSID50167253
Created by admin on Sat Dec 16 12:26:44 GMT 2023 , Edited by admin on Sat Dec 16 12:26:44 GMT 2023
PRIMARY
ECHA (EC/EINECS)
240-318-9
Created by admin on Sat Dec 16 12:26:44 GMT 2023 , Edited by admin on Sat Dec 16 12:26:44 GMT 2023
PRIMARY
CAS
16182-04-0
Created by admin on Sat Dec 16 12:26:44 GMT 2023 , Edited by admin on Sat Dec 16 12:26:44 GMT 2023
PRIMARY
FDA UNII
WQY39AV49E
Created by admin on Sat Dec 16 12:26:44 GMT 2023 , Edited by admin on Sat Dec 16 12:26:44 GMT 2023
PRIMARY
NSC
158480
Created by admin on Sat Dec 16 12:26:44 GMT 2023 , Edited by admin on Sat Dec 16 12:26:44 GMT 2023
PRIMARY