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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

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 Sat Dec 16 09:49:42 GMT 2023
Edited
by admin
on Sat Dec 16 09:49:42 GMT 2023
Record UNII
NCO9MC39IO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SULFORAPHEN
MI  
Common Name English
1-BUTENE, 4-ISOTHIOCYANATO-1-(METHYLSULFINYL)-
Systematic Name English
1-BUTENE, 4-ISOTHIOCYANATO-1-(METHYLSULFINYL)-, (R-(E))-
Systematic Name English
RAPHANIN
Common 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 Sat Dec 16 09:49:42 GMT 2023 , Edited by admin on Sat Dec 16 09:49:42 GMT 2023
PRIMARY
CAS
2404-46-8
Created by admin on Sat Dec 16 09:49:42 GMT 2023 , Edited by admin on Sat Dec 16 09:49:42 GMT 2023
ALTERNATIVE
PUBCHEM
90479303
Created by admin on Sat Dec 16 09:49:42 GMT 2023 , Edited by admin on Sat Dec 16 09:49:42 GMT 2023
PRIMARY
WIKIPEDIA
Sulforaphen
Created by admin on Sat Dec 16 09:49:42 GMT 2023 , Edited by admin on Sat Dec 16 09:49:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID401028336
Created by admin on Sat Dec 16 09:49:42 GMT 2023 , Edited by admin on Sat Dec 16 09:49:42 GMT 2023
PRIMARY
MERCK INDEX
m946
Created by admin on Sat Dec 16 09:49:42 GMT 2023 , Edited by admin on Sat Dec 16 09:49:42 GMT 2023
PRIMARY Merck Index
FDA UNII
NCO9MC39IO
Created by admin on Sat Dec 16 09:49:42 GMT 2023 , Edited by admin on Sat Dec 16 09:49:42 GMT 2023
PRIMARY