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

Details

Stereochemistry RACEMIC
Molecular Formula C13H21NOS
Molecular Weight 239.377
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-TOET

SMILES

CCC1=CC(OC)=C(CC(C)N)C=C1SC

InChI

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

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 ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:06:12 GMT 2023
Edited
by admin
on Sat Dec 16 18:06:12 GMT 2023
Record UNII
53KPR8B3A4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-TOET
Common Name English
1-(4-ETHYL-2-METHOXY-5-(METHYLSULFANYL)PHENYL)PROPAN-2-AMINE
Systematic Name English
BENZENEETHANAMINE, 4-ETHYL-2-METHOXY-.ALPHA.-METHYL-5-(METHYLTHIO)-
Systematic Name English
4-ETHYL-2-METHOXY-5-METHYLTHIOAMPHETAMINE
Systematic Name English
4-ETHYL-2-METHOXY-.ALPHA.-METHYL-5-(METHYLTHIO)BENZENEETHANAMINE
Systematic Name English
5-METHYLTHIO-4-ETHYL-2-METHOXY-PHENETHYLAMINE
Systematic Name English
Classification Tree Code System Code
WIKIPEDIA PiHKAL
Created by admin on Sat Dec 16 18:06:12 GMT 2023 , Edited by admin on Sat Dec 16 18:06:12 GMT 2023
Code System Code Type Description
CAS
207740-43-0
Created by admin on Sat Dec 16 18:06:12 GMT 2023 , Edited by admin on Sat Dec 16 18:06:12 GMT 2023
PRIMARY
FDA UNII
53KPR8B3A4
Created by admin on Sat Dec 16 18:06:12 GMT 2023 , Edited by admin on Sat Dec 16 18:06:12 GMT 2023
PRIMARY
PUBCHEM
15915351
Created by admin on Sat Dec 16 18:06:12 GMT 2023 , Edited by admin on Sat Dec 16 18:06:12 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY