Azonosítás

Edn9F62LA5

Nincs megadva · C16H29N3S

01Azonosítás

Lazychem IDLC-37632
CAS RNNincs megadva
PubChem CID76072332
Molecular formulaC16H29N3S
Molecular weight295.5 g/mol
IUPAC name(6S)-2-N,6-N,6-N-tripropyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
InChIKeyJJDUJFRHQATLOI-ZDUSSCGKSA-N

02Szerkezet és sztereokémia

2D structurePubChem CID 76072332
Two-dimensional chemical structure of Edn9F62LA5
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Ring count2
Secondary amines1
Tertiary amines1
SMILESCCCNC1=NC2=C(S1)C[C@H](CC2)N(CCC)CCC
InChINincs megadva

03Stereochemistry

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

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact 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.

04Indiai státusz

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

05Nevek és kapcsolatok

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