Identität

Diallyl thiosulfinate

CAS 539-86-6 · C6H10OS2

01Identität

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

02Struktur und Stereochemie

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.

The parsed structure is acyclic, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Ring count0
Secondary amines0
Tertiary amines0
SMILESC=CCSS(=O)CC=C
InChINicht angegeben

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 Indien

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

05Namen und Beziehungen

API und Ausgangsarzneistoff

Allicin

Verunreinigungen und verwandte Verbindungen

Namen und Beziehungen

  • Allicin
  • 539-86-6
  • Diallyl thiosulfinate
  • 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
  • DTXSID6043707
  • 3C39BY17Y6
  • CHEBI:28411
  • 3-[(prop-2-ene-1-sulfinyl)sulfanyl]prop-1-ene
  • RefChem:5523

Verunreinigungen und verwandte Verbindungen

06Quellen