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Details

Stereochemistry ACHIRAL
Molecular Formula C6H11N2.CNS
Molecular Weight 169.247
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Ethyl-3-methylimidazolium thiocyanate

SMILES

[S-]C#N.CCN1C=C[N+](C)=C1

InChI

InChIKey=VASPYXGQVWPGAB-UHFFFAOYSA-M
InChI=1S/C6H11N2.CHNS/c1-3-8-5-4-7(2)6-8;2-1-3/h4-6H,3H2,1-2H3;3H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula CHNS
Molecular Weight 59.09
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C6H11N2
Molecular Weight 111.1649
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:53:25 GMT 2023
Edited
by admin
on Sat Dec 16 08:53:25 GMT 2023
Record UNII
7RTN2LW9AG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Ethyl-3-methylimidazolium thiocyanate
Systematic Name English
1H-Imidazolium, 1-ethyl-3-methyl-, thiocyanate
Systematic Name English
1H-Imidazolium, 3-ethyl-1-methyl-, thiocyanate (1:1)
Systematic Name English
Code System Code Type Description
CAS
331717-63-6
Created by admin on Sat Dec 16 08:53:25 GMT 2023 , Edited by admin on Sat Dec 16 08:53:25 GMT 2023
PRIMARY
FDA UNII
7RTN2LW9AG
Created by admin on Sat Dec 16 08:53:25 GMT 2023 , Edited by admin on Sat Dec 16 08:53:25 GMT 2023
PRIMARY
PUBCHEM
16211115
Created by admin on Sat Dec 16 08:53:25 GMT 2023 , Edited by admin on Sat Dec 16 08:53:25 GMT 2023
PRIMARY
EPA CompTox
DTXSID4047884
Created by admin on Sat Dec 16 08:53:25 GMT 2023 , Edited by admin on Sat Dec 16 08:53:25 GMT 2023
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Related Record Type Details
PARENT -> SALT/SOLVATE