Identiteit

Sulforaphen

Niet vermeld · C6H9NOS2

01Identiteit

Lazychem IDLC-84141
CAS RNNiet vermeld
PubChem CID6433206
Molecular formulaC6H9NOS2
Molecular weight175.3 g/mol
IUPAC name(E)-4-isothiocyanato-1-methylsulfinylbut-1-ene
InChIKeyQKGJFQMGPDVOQE-HWKANZROSA-N

02Structuur en stereochemie

2D structurePubChem CID 6433206
Two-dimensional chemical structure of Sulforaphen
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.
SMILESCS(=O)/C=C/CCN=C=S
InChINiet vermeld

03Stereochemistry

The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Status in India

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Namen en relaties

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      06Bronnen