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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H8OS
Molecular Weight 176.235
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHANONE, 1-BENZO(B)THIEN-2-YL-

SMILES

CC(=O)C1=CC2=CC=CC=C2S1

InChI

InChIKey=SGSGCQGCVKWRNM-UHFFFAOYSA-N
InChI=1S/C10H8OS/c1-7(11)10-6-8-4-2-3-5-9(8)12-10/h2-6H,1H3

HIDE SMILES / InChI

Molecular Formula C10H8OS
Molecular Weight 176.235
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
In vitro metabolism of 2-acetylbenzothiophene: relevance to zileuton hepatotoxicity.
2004 Feb
1-Benzothio-phene-2-carbaldehyde 4-ethyl-thio-semicarbazone.
2008 Dec 20
(E)-2-[1-(1-Benzothio-phen-3-yl)ethyl-idene]hydrazinecarbothio-amide methanol hemisolvate.
2008 May 10
Synthesis and evaluation of 1-(benzo[b]thiophen-2-yl)ethanone analogues as novel anti-osteoporosis agents acting on BMP-2 promotor.
2009 Aug 1
Fragment-based screen against HIV protease.
2010 Mar
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 16:30:16 GMT 2023
Edited
by admin
on Sat Dec 16 16:30:16 GMT 2023
Record UNII
ZC5EPE32DF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHANONE, 1-BENZO(B)THIEN-2-YL-
Systematic Name English
ZILEUTON RELATED COMPOUND C [USP-RS]
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
245-177-7
Created by admin on Sat Dec 16 16:30:16 GMT 2023 , Edited by admin on Sat Dec 16 16:30:16 GMT 2023
PRIMARY
CAS
22720-75-8
Created by admin on Sat Dec 16 16:30:16 GMT 2023 , Edited by admin on Sat Dec 16 16:30:16 GMT 2023
PRIMARY
RS_ITEM_NUM
1724689
Created by admin on Sat Dec 16 16:30:16 GMT 2023 , Edited by admin on Sat Dec 16 16:30:16 GMT 2023
PRIMARY
PUBCHEM
89805
Created by admin on Sat Dec 16 16:30:16 GMT 2023 , Edited by admin on Sat Dec 16 16:30:16 GMT 2023
PRIMARY
FDA UNII
ZC5EPE32DF
Created by admin on Sat Dec 16 16:30:16 GMT 2023 , Edited by admin on Sat Dec 16 16:30:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID3057692
Created by admin on Sat Dec 16 16:30:16 GMT 2023 , Edited by admin on Sat Dec 16 16:30:16 GMT 2023
PRIMARY