U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C13H21NO2S.ClH
Molecular Weight 291.837
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-TSB HYDROCHLORIDE

SMILES

Cl.CCOC1=CC(CCN)=CC(OCC)=C1SC

InChI

InChIKey=MJKJOKYFRUTLOF-UHFFFAOYSA-N
InChI=1S/C13H21NO2S.ClH/c1-4-15-11-8-10(6-7-14)9-12(16-5-2)13(11)17-3;/h8-9H,4-7,14H2,1-3H3;1H

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
4-TSB HYDROCHLORIDE
Common Name English
4-METHYLTHIO-3,5-DIETHOXY-PHENETHYLAMINE HYDROCHLORIDE
Preferred Name English
BENZENEETHANAMINE, 3,5-DIETHOXY-4-(METHYLTHIO)-, HYDROCHLORIDE
Systematic Name English
BENZENEETHANAMINE, 3,5-DIETHOXY-4-(METHYLTHIO)-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
MKB89ZZS7V
Created by admin on Wed Apr 02 13:53:19 GMT 2025 , Edited by admin on Wed Apr 02 13:53:19 GMT 2025
PRIMARY
PUBCHEM
86250284
Created by admin on Wed Apr 02 13:53:19 GMT 2025 , Edited by admin on Wed Apr 02 13:53:19 GMT 2025
PRIMARY
CAS
90109-46-9
Created by admin on Wed Apr 02 13:53:19 GMT 2025 , Edited by admin on Wed Apr 02 13:53:19 GMT 2025
PRIMARY
PARENT (SALT/SOLVATE)
Structure of 4-TSB
SUBSTANCE RECORD
Structure of 4-TSB HYDROCHLORIDE
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966