2D structurePubChem CID 521348
Identità
3-Mercaptohexanol
Non indicato · C6H14OS
01Identità
| Lazychem ID | LC-106661 |
|---|---|
| CAS RN | Non indicato |
| PubChem CID | 521348 |
| Molecular formula | C6H14OS |
| Molecular weight | 134.24 g/mol |
| IUPAC name | 3-sulfanylhexan-1-ol |
| InChIKey | TYZFMFVWHZKYSE-UHFFFAOYSA-N |
02Struttura e stereochimica
2D structurePubChem CID 521348
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(CCO)S |
|---|---|
| InChI | Non indicato |
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.
04Stato in India
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Nomi e relazioni
API e farmaco progenitore
Non indicato
Nomi e relazioni
06Fonti
- S01PubChem CID 521348
Structure and machine-readable chemical identifiers.