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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, (±)-

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

Approval Year

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