2D structurePubChem CID 518810
Ταυτότητα
3-Sulfanylhexyl acetate
Δεν αναφέρεται · C8H16O2S
01Ταυτότητα
| Lazychem ID | LC-106966 |
|---|---|
| CAS RN | Δεν αναφέρεται |
| PubChem CID | 518810 |
| Molecular formula | C8H16O2S |
| Molecular weight | 176.28 g/mol |
| IUPAC name | 3-sulfanylhexyl acetate |
| InChIKey | JUCARGIKESIVLB-UHFFFAOYSA-N |
02Δομή και στερεοχημεία
2D structurePubChem CID 518810
The parsed structure is acyclic, includes aliphatic carbon. These statements are calculated from the published structure string.
| Defined stereocentres | 0 |
|---|---|
| Ring count | 0 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | CCCC(CCOC(=O)C)S |
|---|---|
| InChI | Δεν αναφέρεται |
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.
04Κατάσταση στην Ινδία
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Ονόματα και σχέσεις
API και μητρικό φάρμακο
Δεν αναφέρεται
Ονόματα και σχέσεις
06Πηγές
- S01PubChem CID 518810
Structure and machine-readable chemical identifiers.