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Details

Stereochemistry ACHIRAL
Molecular Formula C9H12OS
Molecular Weight 168.256
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-BUTYL-2-THIOPHENECARBOXALDEHYDE

SMILES

CCCCC1=CSC(C=O)=C1

InChI

InChIKey=KPBMSKNWTGNKPX-UHFFFAOYSA-N
InChI=1S/C9H12OS/c1-2-3-4-8-5-9(6-10)11-7-8/h5-7H,2-4H2,1H3

HIDE SMILES / InChI

Molecular Formula C9H12OS
Molecular Weight 168.256
Charge 0
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 Wed Apr 02 08:00:34 GMT 2025
Edited
by admin
on Wed Apr 02 08:00:34 GMT 2025
Record UNII
665EK0O4Z6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-BUTYL-2-THIOPHENECARBOXALDEHYDE
Systematic Name English
FEMA NO. 4839, 4-
Preferred Name English
2-THIOPHENECARBOXALDEHYDE, 4-BUTYL-
Systematic Name English
Code System Code Type Description
CAS
163461-01-6
Created by admin on Wed Apr 02 08:00:34 GMT 2025 , Edited by admin on Wed Apr 02 08:00:34 GMT 2025
PRIMARY
FDA UNII
665EK0O4Z6
Created by admin on Wed Apr 02 08:00:34 GMT 2025 , Edited by admin on Wed Apr 02 08:00:34 GMT 2025
PRIMARY
PUBCHEM
15209624
Created by admin on Wed Apr 02 08:00:34 GMT 2025 , Edited by admin on Wed Apr 02 08:00:34 GMT 2025
PRIMARY