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

Details

Stereochemistry RACEMIC
Molecular Formula C13H21NO2S
Molecular Weight 255.376
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,5-DIMETHOXY-4-ETHYLTHIOAMPHETAMINE

SMILES

CCSC1=CC(OC)=C(CC(C)N)C=C1OC

InChI

InChIKey=MCYCODJKXUJSAT-UHFFFAOYSA-N
InChI=1S/C13H21NO2S/c1-5-17-13-8-11(15-3)10(6-9(2)14)7-12(13)16-4/h7-9H,5-6,14H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C13H21NO2S
Molecular Weight 255.376
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
Z1I419DRZZ
Record Status Validated (UNII)
Record Version