Identitate

Diallyl thiosulfinate

CAS 539-86-6 · C6H10OS2

01Identitate

Lazychem IDLC-12698
CAS RN539-86-6
PubChem CID65036
Molecular formulaC6H10OS2
Molecular weight162.3 g/mol
IUPAC nameS-allyl prop-2-ene-1-sulfinothioate
InChIKeyJDLKFOPOAOFWQN-UHFFFAOYSA-N

02Structură și stereochimie

2D structurePubChem CID 65036
Two-dimensional chemical structure of Diallyl thiosulfinate, CAS 539-86-6
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.
SMILESC=CCSS(=O)CC=C
InChINu este indicat

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.

04Statut în India

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

05Denumiri și relații

API și medicament părinte

Allicin

Impurități și compuși înrudiți

Denumiri și relații

  • Allicin
  • Thio-2-propene-1-sulfinic acid S-allyl ester
  • Allylthiosulphinic acid allyl ester
  • 3-prop-2-enylsulfinylsulfanylprop-1-ene
  • 2-Propene-1-sulfinothioic acid S-2-propenyl ester
  • 3C39BY17Y6
  • CHEBI:28411
  • 3-[(prop-2-ene-1-sulfinyl)sulfanyl]prop-1-ene

Impurități și compuși înrudiți

06Surse