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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H19NO2S.ClH
Molecular Weight 277.811
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-TME HYDROCHLORIDE

SMILES

Cl.CCSC1=C(OC)C(OC)=CC(CCN)=C1

InChI

InChIKey=JDQSLBSLIUUYMU-UHFFFAOYSA-N
InChI=1S/C12H19NO2S.ClH/c1-4-16-11-8-9(5-6-13)7-10(14-2)12(11)15-3;/h7-8H,4-6,13H2,1-3H3;1H

HIDE SMILES / InChI

Molecular Formula C12H19NO2S
Molecular Weight 241.35
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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 18:16:30 GMT 2023
Edited
by admin
on Sat Dec 16 18:16:30 GMT 2023
Record UNII
48YUD87ULB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-TME HYDROCHLORIDE
Common Name English
BENZENEETHANAMINE, 3-(ETHYLTHIO)-4,5-DIMETHOXY-, HYDROCHLORIDE (1:1)
Systematic Name English
BENZENEETHANAMINE, 3-(ETHYLTHIO)-4,5-DIMETHOXY-, HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
CAS
90132-36-8
Created by admin on Sat Dec 16 18:16:30 GMT 2023 , Edited by admin on Sat Dec 16 18:16:30 GMT 2023
PRIMARY
FDA UNII
48YUD87ULB
Created by admin on Sat Dec 16 18:16:30 GMT 2023 , Edited by admin on Sat Dec 16 18:16:30 GMT 2023
PRIMARY
PUBCHEM
86250385
Created by admin on Sat Dec 16 18:16:30 GMT 2023 , Edited by admin on Sat Dec 16 18:16:30 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE