About CID 15091933
CID 15091933 (PubChem CID 15091933) has the molecular formula C28H26O4S2
and a molecular weight of 490.65 g/mol.
Molecular Properties
| Compound Name | CID 15091933 |
|---|
| PubChem CID | 15091933 |
|---|
| Molecular Formula | C28H26O4S2 |
|---|
| Molecular Weight | 490.65 g/mol |
|---|
| Exact Mass | 490.13 |
|---|
| IUPAC Name | — |
|---|
| SMILES | O=S(=O)(c1ccccc1)[C@@H]1[C@H](S(=O)(=O)c2ccccc2)[C@H]2C3=C([C@@H]4C=C[C@H]3C43CC3)[C@@H]1C21CC1 |
|---|
| InChI | InChI=1S/C28H26O4S2/c29-33(30,17-7-3-1-4-8-17)25-23-21-19-11-12-20(27(19)13-14-27)22(21)24(28(23)15-16-28)26(25)34(31,32)18-9-5-2-6-10-18/h1-12,19-20,23-26H,13-16H2/t19-,20+,23-,24+,25-,26+ |
|---|
| InChIKey | ISRPQTGGVIYWGU-KELBCLRESA-N |
|---|
| XLogP | 4.60 |
|---|
| TPSA | 68.28 Ų |
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| H-Bond Donors | |
|---|
| H-Bond Acceptors | 4 |
|---|
| Rotatable Bonds | 4 |
|---|
| Heavy Atoms | 34 |
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| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 490.65 |
| LogP ≤ 5 | 4.60 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of CID 15091933?
The IUPAC name of CID 15091933 (CID 15091933) is not available.
What is the SMILES notation for CID 15091933?
The canonical SMILES for CID 15091933 is O=S(=O)(c1ccccc1)[C@@H]1[C@H](S(=O)(=O)c2ccccc2)[C@H]2C3=C([C@@H]4C=C[C@H]3C43CC3)[C@@H]1C21CC1.
What is the InChIKey of CID 15091933?
The InChIKey is ISRPQTGGVIYWGU-KELBCLRESA-N. The full InChI is InChI=1S/C28H26O4S2/c29-33(30,17-7-3-1-4-8-17)25-23-21-19-11-12-20(27(19)13-14-27)22(21)24(28(23)15-16-28)26(25)34(31,32)18-9-5-2-6-10-18/h1-12,19-20,23-26H,13-16H2/t19-,20+,23-,24+,25-,26+.
What are the key properties of CID 15091933?
CID 15091933 has a molecular weight of 490.65 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 15091933 is sourced from PubChem (CID 15091933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).