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

Details

Stereochemistry RACEMIC
Molecular Formula C12H13NO2S
Molecular Weight 235.302
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENYTHILONE

SMILES

CCC1(SCC(=O)NC1=O)C2=CC=CC=C2

InChI

InChIKey=IJCATHLRDWDKAS-UHFFFAOYSA-N
InChI=1S/C12H13NO2S/c1-2-12(9-6-4-3-5-7-9)11(15)13-10(14)8-16-12/h3-7H,2,8H2,1H3,(H,13,14,15)

HIDE SMILES / InChI

Molecular Formula C12H13NO2S
Molecular Weight 235.302
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

PubMed

PubMed

TitleDatePubMed
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:55:43 GMT 2023
Edited
by admin
on Fri Dec 15 15:55:43 GMT 2023
Record UNII
V8350F4A37
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHENYTHILONE
INN  
INN  
Official Name English
2-ETHYL-2-PHENYL-3,5-THIAMORPHOLINEDIONE
Systematic Name English
NSC-18713
Code English
PHENYLTHILONE
Common Name English
phenythilone [INN]
Common Name English
THIMORLONE
Common Name English
2-ETHYL-2-PHENYLTHIOMORPHOLINE-3,5-DIONE
Systematic Name English
DL-THIMORLONE
Common Name English
3,5-THIOMORPHOLINEDIONE, 2-ETHYL-2-PHENYL-
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C29756
Created by admin on Fri Dec 15 15:55:43 GMT 2023 , Edited by admin on Fri Dec 15 15:55:43 GMT 2023
Code System Code Type Description
FDA UNII
V8350F4A37
Created by admin on Fri Dec 15 15:55:43 GMT 2023 , Edited by admin on Fri Dec 15 15:55:43 GMT 2023
PRIMARY
SMS_ID
100000082447
Created by admin on Fri Dec 15 15:55:43 GMT 2023 , Edited by admin on Fri Dec 15 15:55:43 GMT 2023
PRIMARY
NCI_THESAURUS
C74525
Created by admin on Fri Dec 15 15:55:43 GMT 2023 , Edited by admin on Fri Dec 15 15:55:43 GMT 2023
PRIMARY
NSC
18713
Created by admin on Fri Dec 15 15:55:43 GMT 2023 , Edited by admin on Fri Dec 15 15:55:43 GMT 2023
PRIMARY
ChEMBL
CHEMBL2106881
Created by admin on Fri Dec 15 15:55:43 GMT 2023 , Edited by admin on Fri Dec 15 15:55:43 GMT 2023
PRIMARY
CAS
115-55-9
Created by admin on Fri Dec 15 15:55:43 GMT 2023 , Edited by admin on Fri Dec 15 15:55:43 GMT 2023
PRIMARY
EPA CompTox
DTXSID50861744
Created by admin on Fri Dec 15 15:55:43 GMT 2023 , Edited by admin on Fri Dec 15 15:55:43 GMT 2023
PRIMARY
EVMPD
SUB09793MIG
Created by admin on Fri Dec 15 15:55:43 GMT 2023 , Edited by admin on Fri Dec 15 15:55:43 GMT 2023
PRIMARY
INN
515
Created by admin on Fri Dec 15 15:55:43 GMT 2023 , Edited by admin on Fri Dec 15 15:55:43 GMT 2023
PRIMARY
PUBCHEM
227260
Created by admin on Fri Dec 15 15:55:43 GMT 2023 , Edited by admin on Fri Dec 15 15:55:43 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE
Related Record Type Details
ACTIVE MOIETY