3H-2,1-Benzoxathiole 1,1-dioxide

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H6O3S
Molecular Weight	170.186
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3H-2,1-Benzoxathiole 1,1-dioxide

Structure Search

SMILES

O=S1(=O)OCC2=C1C=CC=C2

InChI

InChIKey=SDJPPXJZWJEAPT-UHFFFAOYSA-N

InChI=1S/C7H6O3S/c8-11(9)7-4-2-1-3-6(7)5-10-11/h1-4H,5H2

HIDE SMILES / InChI

Molecular Formula	C7H6O3S
Molecular Weight	170.186
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 12:12:41 GMT 2023` Edited by `admin` on `Sat Dec 16 12:12:41 GMT 2023`
Record UNII	K87MM28BH9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3H-2,1-Benzoxathiole 1,1-dioxide

Systematic Name

English

NSC-50795

Code

English

Code System Code Type Description

PUBCHEM

78157

Created by admin on Sat Dec 16 12:12:41 GMT 2023 , Edited by admin on Sat Dec 16 12:12:41 GMT 2023

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ECHA (EC/EINECS)

224-620-8

Created by admin on Sat Dec 16 12:12:41 GMT 2023 , Edited by admin on Sat Dec 16 12:12:41 GMT 2023

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EPA CompTox

DTXSID00196114

Created by admin on Sat Dec 16 12:12:41 GMT 2023 , Edited by admin on Sat Dec 16 12:12:41 GMT 2023

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NSC

50795

Created by admin on Sat Dec 16 12:12:41 GMT 2023 , Edited by admin on Sat Dec 16 12:12:41 GMT 2023

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FDA UNII

K87MM28BH9

Created by admin on Sat Dec 16 12:12:41 GMT 2023 , Edited by admin on Sat Dec 16 12:12:41 GMT 2023

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CAS

4430-23-3

Created by admin on Sat Dec 16 12:12:41 GMT 2023 , Edited by admin on Sat Dec 16 12:12:41 GMT 2023

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