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Details

Stereochemistry RACEMIC
Molecular Formula C13H21NOS.ClH
Molecular Weight 275.838
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-TOET hydrochloride

SMILES

Cl.CCC1=CC(SC)=C(CC(C)N)C=C1OC

InChI

InChIKey=VHXNKNACGFLGRH-UHFFFAOYSA-N
InChI=1S/C13H21NOS.ClH/c1-5-10-8-13(16-4)11(6-9(2)14)7-12(10)15-3;/h7-9H,5-6,14H2,1-4H3;1H

HIDE SMILES / InChI

Molecular Formula C13H21NOS
Molecular Weight 239.377
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:14:04 GMT 2023
Edited
by admin
on Sat Dec 16 19:14:04 GMT 2023
Record UNII
QP2W4UFU7R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-TOET hydrochloride
Common Name English
2-methylthio-4-ethyl-5-methoxyphenethylamine hydrochloride
Systematic Name English
Benzeneethanamine, 4-ethyl-5-methoxy-α-methyl-2-(methylthio)-, hydrochloride
Systematic Name English
Benzeneethanamine, 4-ethyl-5-methoxy-α-methyl-2-(methylthio)-, hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
CAS
84910-91-8
Created by admin on Sat Dec 16 19:14:04 GMT 2023 , Edited by admin on Sat Dec 16 19:14:04 GMT 2023
PRIMARY
FDA UNII
QP2W4UFU7R
Created by admin on Sat Dec 16 19:14:04 GMT 2023 , Edited by admin on Sat Dec 16 19:14:04 GMT 2023
PRIMARY
PUBCHEM
15915348
Created by admin on Sat Dec 16 19:14:04 GMT 2023 , Edited by admin on Sat Dec 16 19:14:04 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE