O-CHLOROBENZYL METHYL SULFOXIDE

Details

Stereochemistry	RACEMIC
Molecular Formula	C8H9ClOS
Molecular Weight	188.674
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of O-CHLOROBENZYL METHYL SULFOXIDE

Structure Search

SMILES

C[S+]([O-])CC1=CC=CC=C1Cl

InChI

InChIKey=XGQNVMKZJNFYKP-UHFFFAOYSA-N

InChI=1S/C8H9ClOS/c1-11(10)6-7-4-2-3-5-8(7)9/h2-5H,6H2,1H3

HIDE SMILES / InChI

Molecular Formula	C8H9ClOS
Molecular Weight	188.674
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Involvement of adrenergic mechanism in the diuretic action of o-chlorobenzyl methyl sulfoxide (DS-30) in the rat.	1973 Apr	4147483

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:47:35 GMT 2023` Edited by `admin` on `Fri Dec 15 19:47:35 GMT 2023`
Record UNII	4T1U5N8743
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

O-CHLOROBENZYL METHYL SULFOXIDE

Common Name

English

BENZENE, 1-CHLORO-2-((METHYLSULFINYL)METHYL)-

Systematic Name

English

(±)-O-CHLOROBENZYL METHYL SULFOXIDE

Common Name

English

1-CHLORO-2-((METHYLSULFINYL)METHYL)BENZENE

Systematic Name

English

(RS)-O-CHLOROBENZYL METHYL SULFOXIDE

Common Name

English

DS-30

Code

English

DS 30

Code

English

SULFOXIDE, O-CHLOROBENZYL METHYL

Common Name

English

Code System Code Type Description

CAS

23413-66-3

Created by admin on Fri Dec 15 19:47:35 GMT 2023 , Edited by admin on Fri Dec 15 19:47:35 GMT 2023

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EPA CompTox

DTXSID80946073

Created by admin on Fri Dec 15 19:47:35 GMT 2023 , Edited by admin on Fri Dec 15 19:47:35 GMT 2023

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FDA UNII

4T1U5N8743

Created by admin on Fri Dec 15 19:47:35 GMT 2023 , Edited by admin on Fri Dec 15 19:47:35 GMT 2023

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PUBCHEM

168109

Created by admin on Fri Dec 15 19:47:35 GMT 2023 , Edited by admin on Fri Dec 15 19:47:35 GMT 2023

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