2D structurePubChem CID 3032285
Identitet
Thiamylal
Ikke angivet · C12H18N2O2S
01Identitet
| Lazychem ID | LC-89916 |
|---|---|
| CAS RN | Ikke angivet |
| PubChem CID | 3032285 |
| Molecular formula | C12H18N2O2S |
| Molecular weight | 254.35 g/mol |
| IUPAC name | 5-pentan-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione |
| InChIKey | XLOMZPUITCYLMJ-UHFFFAOYSA-N |
02Struktur og stereokemi
2D structurePubChem CID 3032285
The parsed structure contains 1 ring, includes aliphatic carbon. These statements are calculated from the published structure string.
| Defined stereocentres | 0 |
|---|---|
| Ring count | 1 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | CCCC(C)C1(C(=O)NC(=S)NC1=O)CC=C |
|---|---|
| InChI | Ikke angivet |
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 recordThese 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 i Indien
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Navne og relationer
API og moderlægemiddel
Ikke angivet
Navne og relationer
06Kilder
- S01PubChem CID 3032285
Structure and machine-readable chemical identifiers.