SULFORAPHANE, (±)-

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C6H11NOS2
Molecular Weight	177.288
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of SULFORAPHANE, (±)-

Structure Search

SMILES

C[S+]([O-])CCCCN=C=S

InChI

InChIKey=SUVMJBTUFCVSAD-UHFFFAOYSA-N

InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3

HIDE SMILES / InChI

Molecular Formula	C6H11NOS2
Molecular Weight	177.288
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:18:37 GMT 2023` Edited by `admin` on `Fri Dec 15 17:18:37 GMT 2023`
Record UNII	41684WL1GL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SULFORAPHANE, (±)-

Common Name

English

4-METHYLSULFINYLBUTYL ISOTHIOCYANATE

Systematic Name

English

SULFORAPHANE (±)-FORM [MI]

Common Name

English

BUTANE, 1-ISOTHIOCYANATO-4-(METHYLSULFINYL)-

Systematic Name

English

(±)-SULFORAPHANE

Common Name

English

NSC-749790

Code

English

ISOTHIOCYANIC ACID, 4-(METHYLSULFINYL)BUTYL ESTER

Common Name

English

Code System Code Type Description

PUBCHEM

5350

Created by admin on Fri Dec 15 17:18:37 GMT 2023 , Edited by admin on Fri Dec 15 17:18:37 GMT 2023

PRIMARY

MERCK INDEX

m10362

Created by admin on Fri Dec 15 17:18:37 GMT 2023 , Edited by admin on Fri Dec 15 17:18:37 GMT 2023

PRIMARY

FDA UNII

41684WL1GL

Created by admin on Fri Dec 15 17:18:37 GMT 2023 , Edited by admin on Fri Dec 15 17:18:37 GMT 2023

PRIMARY

CAS

4478-93-7

Created by admin on Fri Dec 15 17:18:37 GMT 2023 , Edited by admin on Fri Dec 15 17:18:37 GMT 2023

PRIMARY

CHEBI

47808

Created by admin on Fri Dec 15 17:18:37 GMT 2023 , Edited by admin on Fri Dec 15 17:18:37 GMT 2023

PRIMARY

NSC

749790

Created by admin on Fri Dec 15 17:18:37 GMT 2023 , Edited by admin on Fri Dec 15 17:18:37 GMT 2023

PRIMARY

EPA CompTox

DTXSID8036732

Created by admin on Fri Dec 15 17:18:37 GMT 2023 , Edited by admin on Fri Dec 15 17:18:37 GMT 2023

PRIMARY

Related Record Type Details


					41684WL1GL

SULFORAPHANE, (±)-

ACTIVE MOIETY