2D structurePubChem CID 4685153
Aitheantas
3-Phenylthiomorpholine
Gan liostú · C10H13NS
01Aitheantas
| Lazychem ID | LC-86676 |
|---|---|
| CAS RN | Gan liostú |
| PubChem CID | 4685153 |
| Molecular formula | C10H13NS |
| Molecular weight | 179.28 g/mol |
| IUPAC name | 3-phenylthiomorpholine |
| InChIKey | JIBMCWSAEWAKIP-UHFFFAOYSA-N |
02Struchtúr agus steiréicheimic
2D structurePubChem CID 4685153
The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.
| Defined stereocentres | 0 |
|---|---|
| Ring count | 2 |
| Secondary amines | 1 |
| Tertiary amines | 0 |
| SMILES | C1CSCC(N1)C2=CC=CC=C2 |
|---|---|
| InChI | Gan liostú |
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.
04Stádas san India
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Ainmneacha agus gaolta
API agus máthairdhruga
Gan liostú
Ainmneacha agus gaolta
06Foinsí
- S01PubChem CID 4685153
Structure and machine-readable chemical identifiers.