1,1-Dioxo-1-benzothiophen-3-one

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H6O3S
Molecular Weight	182.196
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,1-Dioxo-1-benzothiophen-3-one

Structure Search

SMILES

O=C1CS(=O)(=O)C2=CC=CC=C12

InChI

InChIKey=LXCYNALXWGQUIK-UHFFFAOYSA-N

InChI=1S/C8H6O3S/c9-7-5-12(10,11)8-4-2-1-3-6(7)8/h1-4H,5H2

HIDE SMILES / InChI

Molecular Formula	C8H6O3S
Molecular Weight	182.196
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 `Tue Apr 01 19:25:49 GMT 2025` Edited by `admin` on `Tue Apr 01 19:25:49 GMT 2025`
Record UNII	3N8FFX6YKD
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1,1-Dioxo-1-benzothiophen-3-one

Systematic Name

English

Benzo[b]thiophen-3(2H)-one, 1,1-dioxide

Preferred Name

English

NSC-403326

Code

English

1-Benzothiophen-3(2H)-one 1,1-dioxide

Systematic Name

English

Code System Code Type Description

PUBCHEM

70780

Created by admin on Tue Apr 01 19:25:49 GMT 2025 , Edited by admin on Tue Apr 01 19:25:49 GMT 2025

PRIMARY

EPA CompTox

DTXSID10150141

Created by admin on Tue Apr 01 19:25:49 GMT 2025 , Edited by admin on Tue Apr 01 19:25:49 GMT 2025

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ECHA (EC/EINECS)

214-429-8

Created by admin on Tue Apr 01 19:25:49 GMT 2025 , Edited by admin on Tue Apr 01 19:25:49 GMT 2025

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CAS

1127-35-1

Created by admin on Tue Apr 01 19:25:49 GMT 2025 , Edited by admin on Tue Apr 01 19:25:49 GMT 2025

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NSC

403326

Created by admin on Tue Apr 01 19:25:49 GMT 2025 , Edited by admin on Tue Apr 01 19:25:49 GMT 2025

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FDA UNII

3N8FFX6YKD

Created by admin on Tue Apr 01 19:25:49 GMT 2025 , Edited by admin on Tue Apr 01 19:25:49 GMT 2025

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