U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry RACEMIC
Molecular Formula C14H23NO2S
Molecular Weight 269.403
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4C-T-2

SMILES

CCSC1=C(OC)C=C(CC(N)CC)C(OC)=C1

InChI

InChIKey=KLAWPCIXPDTGCZ-UHFFFAOYSA-N
InChI=1S/C14H23NO2S/c1-5-11(15)7-10-8-13(17-4)14(18-6-2)9-12(10)16-3/h8-9,11H,5-7,15H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C14H23NO2S
Molecular Weight 269.403
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
AY9HDQ4A2H
Record Status Validated (UNII)
Record Version