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Details

Stereochemistry ACHIRAL
Molecular Formula C8H15N2.CNS
Molecular Weight 197.301
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

[S-]C#N.CCCCN1C=C[N+](C)=C1

InChI

InChIKey=SIXHYMZEOJSYQH-UHFFFAOYSA-M
InChI=1S/C8H15N2.CHNS/c1-3-4-5-10-7-6-9(2)8-10;2-1-3/h6-8H,3-5H2,1-2H3;3H/q+1;/p-1

HIDE SMILES / InChI

Approval Year

Name Type Language
1-Butyl-3-methylimidazolium thiocyanate
Systematic Name English
1H-Imidazolium, 3-butyl-1-methyl-, thiocyanate
Preferred Name English
Code System Code Type Description
EPA CompTox
DTXSID9047914
Created by admin on Mon Mar 31 22:22:30 GMT 2025 , Edited by admin on Mon Mar 31 22:22:30 GMT 2025
PRIMARY
PUBCHEM
11424151
Created by admin on Mon Mar 31 22:22:30 GMT 2025 , Edited by admin on Mon Mar 31 22:22:30 GMT 2025
PRIMARY
FDA UNII
32PF6LB2S5
Created by admin on Mon Mar 31 22:22:30 GMT 2025 , Edited by admin on Mon Mar 31 22:22:30 GMT 2025
PRIMARY
CAS
344790-87-0
Created by admin on Mon Mar 31 22:22:30 GMT 2025 , Edited by admin on Mon Mar 31 22:22:30 GMT 2025
PRIMARY