2D structurePubChem CID 92934
Identitate
Firefly Luciferin
Nu este indicat · C11H8N2O3S2
01Identitate
| Lazychem ID | LC-118216 |
|---|---|
| CAS RN | Nu este indicat |
| PubChem CID | 92934 |
| Molecular formula | C11H8N2O3S2 |
| Molecular weight | 280.3 g/mol |
| IUPAC name | (4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid |
| InChIKey | BJGNCJDXODQBOB-SSDOTTSWSA-N |
02Structură și stereochimie
2D structurePubChem CID 92934
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 stereocentres | 1 |
|---|---|
| Ring count | 3 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | C1[C@@H](N=C(S1)C2=NC3=C(S2)C=C(C=C3)O)C(=O)O |
|---|---|
| InChI | Nu este indicat |
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 recordsThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
2D structurePubChem CID 616547
![Two-dimensional chemical structure of 2-(6-Hydroxybenzo[d]thiazol-2-yl)-4,5-dihydrothiazole-4-carboxylic acid](/structures/pubchem/616547-300.png)
2-(6-Hydroxybenzo[d]thiazol-2-yl)-4,5-dihydrothiazole-4-carboxylic acid
CAS not listed
BJGNCJDXODQBOB-UHFFFAOYSA-N
0 defined, 1 unassigned centres
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
Nu este indicat
Denumiri și relații
06Surse
- S01PubChem CID 92934
Structure and machine-readable chemical identifiers.