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Details

Stereochemistry ACHIRAL
Molecular Formula C20H44N.CNS
Molecular Weight 356.652
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Tetraisopentylammonium thiocyanate

SMILES

[S-]C#N.CC(C)CC[N+](CCC(C)C)(CCC(C)C)CCC(C)C

InChI

InChIKey=DWCVOTSGWLRENH-UHFFFAOYSA-M
InChI=1S/C20H44N.CHNS/c1-17(2)9-13-21(14-10-18(3)4,15-11-19(5)6)16-12-20(7)8;2-1-3/h17-20H,9-16H2,1-8H3;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 C20H44N
Molecular Weight 298.5701
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:15:55 GMT 2025
Edited
by admin
on Tue Apr 01 19:15:55 GMT 2025
Record UNII
WAD2LPS9YU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Butanaminium, 3-methyl-N,N,N-tris(3-methylbutyl)-, thiocyanate
Preferred Name English
Tetraisopentylammonium thiocyanate
Systematic Name English
Code System Code Type Description
PUBCHEM
3015154
Created by admin on Tue Apr 01 19:15:55 GMT 2025 , Edited by admin on Tue Apr 01 19:15:55 GMT 2025
PRIMARY
CAS
23297-50-9
Created by admin on Tue Apr 01 19:15:55 GMT 2025 , Edited by admin on Tue Apr 01 19:15:55 GMT 2025
PRIMARY
ECHA (EC/EINECS)
245-565-6
Created by admin on Tue Apr 01 19:15:55 GMT 2025 , Edited by admin on Tue Apr 01 19:15:55 GMT 2025
PRIMARY
EPA CompTox
DTXSID80177865
Created by admin on Tue Apr 01 19:15:55 GMT 2025 , Edited by admin on Tue Apr 01 19:15:55 GMT 2025
PRIMARY
FDA UNII
WAD2LPS9YU
Created by admin on Tue Apr 01 19:15:55 GMT 2025 , Edited by admin on Tue Apr 01 19:15:55 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE