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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H17NO2S
Molecular Weight 263.355
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Thiocoumarin

SMILES

CN(C)CCCOC1=CC(=O)SC2=CC=CC=C12

InChI

InChIKey=DIOZFKOOIBATNZ-UHFFFAOYSA-N
InChI=1S/C14H17NO2S/c1-15(2)8-5-9-17-12-10-14(16)18-13-7-4-3-6-11(12)13/h3-4,6-7,10H,5,8-9H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C14H17NO2S
Molecular Weight 263.355
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 11:47:25 GMT 2023
Edited
by admin
on Sat Dec 16 11:47:25 GMT 2023
Record UNII
CM773J3THB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Thiocoumarin
Systematic Name English
2H-1-Benzopyran-2-thione
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20192911
Created by admin on Sat Dec 16 11:47:25 GMT 2023 , Edited by admin on Sat Dec 16 11:47:25 GMT 2023
PRIMARY
FDA UNII
CM773J3THB
Created by admin on Sat Dec 16 11:47:25 GMT 2023 , Edited by admin on Sat Dec 16 11:47:25 GMT 2023
PRIMARY
CAS
3986-98-9
Created by admin on Sat Dec 16 11:47:25 GMT 2023 , Edited by admin on Sat Dec 16 11:47:25 GMT 2023
PRIMARY
DRUG BANK
DB02462
Created by admin on Sat Dec 16 11:47:25 GMT 2023 , Edited by admin on Sat Dec 16 11:47:25 GMT 2023
PRIMARY
PUBCHEM
19890
Created by admin on Sat Dec 16 11:47:25 GMT 2023 , Edited by admin on Sat Dec 16 11:47:25 GMT 2023
PRIMARY