Identita

Firefly Luciferin

Neuvedeno · C11H8N2O3S2

01Identita

Lazychem IDLC-118216
CAS RNNeuvedeno
PubChem CID92934
Molecular formulaC11H8N2O3S2
Molecular weight280.3 g/mol
IUPAC name(4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
InChIKeyBJGNCJDXODQBOB-SSDOTTSWSA-N

02Struktura a stereochemie

2D structurePubChem CID 92934
Two-dimensional chemical structure of Firefly Luciferin
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Ring count3
Secondary amines0
Tertiary amines0
SMILESC1[C@@H](N=C(S1)C2=NC3=C(S2)C=C(C=C3)O)C(=O)O
InChINeuvedeno

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

2 records

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.

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.

04Stav v Indii

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

05Názvy a vztahy

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      06Zdroje