SULFORAPHEN

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C6H9NOS2
Molecular Weight	175.272
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of SULFORAPHEN

Structure Search

SMILES

C[S@@+]([O-])\C=C\CCN=C=S

InChI

InChIKey=QKGJFQMGPDVOQE-RXNUUUNCSA-N

InChI=1S/C6H9NOS2/c1-10(8)5-3-2-4-7-6-9/h3,5H,2,4H2,1H3/b5-3+/t10-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C6H9NOS2
Molecular Weight	175.272
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:51:54 GMT 2025` Edited by `admin` on `Mon Mar 31 22:51:54 GMT 2025`
Record UNII	NCO9MC39IO
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

RAPHANIN

Preferred Name

English

SULFORAPHEN

Common Name

English

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

Systematic Name

English

1-BUTENE, 4-ISOTHIOCYANATO-1-(METHYLSULFINYL)-, (R-(E))-

Systematic Name

English

SULFORAPHENE

Systematic Name

English

4-METHYLSULFINYLBUT-3-ENYL ISOTHIOCYANATE

Systematic Name

English

4-METHYLSULFINYL-3-BUTENYL ISOTHIOCYANATE

Systematic Name

English

SULFORAPHEN [MI]

Common Name

English

Code System Code Type Description

CAS

592-95-0

Created by admin on Mon Mar 31 22:51:54 GMT 2025 , Edited by admin on Mon Mar 31 22:51:54 GMT 2025

PRIMARY

CAS

2404-46-8

Created by admin on Mon Mar 31 22:51:54 GMT 2025 , Edited by admin on Mon Mar 31 22:51:54 GMT 2025

ALTERNATIVE

PUBCHEM

90479303

Created by admin on Mon Mar 31 22:51:54 GMT 2025 , Edited by admin on Mon Mar 31 22:51:54 GMT 2025

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WIKIPEDIA

Sulforaphen

Created by admin on Mon Mar 31 22:51:54 GMT 2025 , Edited by admin on Mon Mar 31 22:51:54 GMT 2025

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EPA CompTox

DTXSID401028336

Created by admin on Mon Mar 31 22:51:54 GMT 2025 , Edited by admin on Mon Mar 31 22:51:54 GMT 2025

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MERCK INDEX

m946

Created by admin on Mon Mar 31 22:51:54 GMT 2025 , Edited by admin on Mon Mar 31 22:51:54 GMT 2025

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Merck Index

FDA UNII

NCO9MC39IO

Created by admin on Mon Mar 31 22:51:54 GMT 2025 , Edited by admin on Mon Mar 31 22:51:54 GMT 2025

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