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

Details

Stereochemistry RACEMIC
Molecular Formula C8H10ClNOS
Molecular Weight 203.689
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(5-CHLORO-2-THIENYL)-2-(METHYLAMINO)-1-PROPANONE

SMILES

CNC(C)C(=O)C1=CC=C(Cl)S1

InChI

InChIKey=VTSPXQPERGVFBV-UHFFFAOYSA-N
InChI=1S/C8H10ClNOS/c1-5(10-2)8(11)6-3-4-7(9)12-6/h3-5,10H,1-2H3

HIDE SMILES / InChI

Molecular Formula C8H10ClNOS
Molecular Weight 203.689
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 18:23:01 GMT 2023
Edited
by admin
on Sat Dec 16 18:23:01 GMT 2023
Record UNII
4F8W3K5FA4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(5-CHLORO-2-THIENYL)-2-(METHYLAMINO)-1-PROPANONE
Systematic Name English
1-(5-CHLOROTHIOPHEN-2-YL)-2-(METHYLAMINO)PROPAN-1-ONE
Systematic Name English
1-PROPANONE, 1-(5-CHLORO-2-THIENYL)-2-(METHYLAMINO)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID801336880
Created by admin on Sat Dec 16 18:23:01 GMT 2023 , Edited by admin on Sat Dec 16 18:23:01 GMT 2023
PRIMARY
PUBCHEM
82282703
Created by admin on Sat Dec 16 18:23:01 GMT 2023 , Edited by admin on Sat Dec 16 18:23:01 GMT 2023
PRIMARY
CAS
1368498-75-2
Created by admin on Sat Dec 16 18:23:01 GMT 2023 , Edited by admin on Sat Dec 16 18:23:01 GMT 2023
PRIMARY
FDA UNII
4F8W3K5FA4
Created by admin on Sat Dec 16 18:23:01 GMT 2023 , Edited by admin on Sat Dec 16 18:23:01 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE