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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 5-TASB HYDROCHLORIDE

SMILES

Cl.CCOC1=C(OCC)C(SC)=CC(CCN)=C1

InChI

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

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C13H21NO2S
Molecular Weight 255.376
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 Sat Dec 16 18:20:35 GMT 2023
Edited
by admin
on Sat Dec 16 18:20:35 GMT 2023
Record UNII
GR5QVW2522
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-TASB HYDROCHLORIDE
Common Name English
BENZENEETHANAMINE, 3,4-DIETHOXY-5-(METHYLTHIO)-, HYDROCHLORIDE
Systematic Name English
3-ethoxy-4-ethoxy-5-methylthiophenethylamine hydrochloride
Systematic Name English
BENZENEETHANAMINE, 3,4-DIETHOXY-5-(METHYLTHIO)-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
GR5QVW2522
Created by admin on Sat Dec 16 18:20:35 GMT 2023 , Edited by admin on Sat Dec 16 18:20:35 GMT 2023
PRIMARY
PUBCHEM
86250350
Created by admin on Sat Dec 16 18:20:35 GMT 2023 , Edited by admin on Sat Dec 16 18:20:35 GMT 2023
PRIMARY
CAS
90132-48-2
Created by admin on Sat Dec 16 18:20:35 GMT 2023 , Edited by admin on Sat Dec 16 18:20:35 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE