About 1,2-bis(prop-2-enyldisulfanyl)propane
1,2-bis(prop-2-enyldisulfanyl)propane (PubChem CID 14223530) has the molecular formula C9H16S4
and a molecular weight of 252.49 g/mol. Its IUPAC name is 1,2-bis(prop-2-enyldisulfanyl)propane.
Molecular Properties
| Compound Name | 1,2-bis(prop-2-enyldisulfanyl)propane |
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| PubChem CID | 14223530 |
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| Molecular Formula | C9H16S4 |
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| Molecular Weight | 252.49 g/mol |
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| Exact Mass | 252.01 |
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| IUPAC Name | 1,2-bis(prop-2-enyldisulfanyl)propane |
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| SMILES | C=CCSSCC(C)SSCC=C |
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| InChI | InChI=1S/C9H16S4/c1-4-6-10-12-8-9(3)13-11-7-5-2/h4-5,9H,1-2,6-8H2,3H3 |
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| InChIKey | LNLPZTXIDLLSJF-UHFFFAOYSA-N |
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| XLogP | 4.51 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 13 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 252.49 |
| LogP ≤ 5 | 4.51 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1,2-bis(prop-2-enyldisulfanyl)propane?
The IUPAC name of 1,2-bis(prop-2-enyldisulfanyl)propane (CID 14223530) is 1,2-bis(prop-2-enyldisulfanyl)propane.
What is the SMILES notation for 1,2-bis(prop-2-enyldisulfanyl)propane?
The canonical SMILES for 1,2-bis(prop-2-enyldisulfanyl)propane is C=CCSSCC(C)SSCC=C.
What is the InChIKey of 1,2-bis(prop-2-enyldisulfanyl)propane?
The InChIKey is LNLPZTXIDLLSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S4/c1-4-6-10-12-8-9(3)13-11-7-5-2/h4-5,9H,1-2,6-8H2,3H3.
What are the key properties of 1,2-bis(prop-2-enyldisulfanyl)propane?
1,2-bis(prop-2-enyldisulfanyl)propane has a molecular weight of 252.49 g/mol, XLogP of 4.51, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(prop-2-enyldisulfanyl)propane is sourced from PubChem (CID 14223530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).