Tunnistetiedot

Thiamylal

Ei ilmoitettu · C12H18N2O2S

01Tunnistetiedot

Lazychem IDLC-89916
CAS RNEi ilmoitettu
PubChem CID3032285
Molecular formulaC12H18N2O2S
Molecular weight254.35 g/mol
IUPAC name5-pentan-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
InChIKeyXLOMZPUITCYLMJ-UHFFFAOYSA-N

02Rakenne ja stereokemia

2D structurePubChem CID 3032285
Two-dimensional chemical structure of Thiamylal
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Ring count1
Secondary amines0
Tertiary amines0
SMILESCCCC(C)C1(C(=O)NC(=S)NC1=O)CC=C
InChIEi ilmoitettu

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.

04Tila Intiassa

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

05Nimet ja suhteet

API ja emolääke

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Nimet ja suhteet

    Epäpuhtaudet ja lähiyhdisteet

      06Lähteet