About (E)-4-chloro-5-methylsulfanylpent-2-ene
(E)-4-chloro-5-methylsulfanylpent-2-ene (PubChem CID 119098147) has the molecular formula C6H11ClS
and a molecular weight of 150.67 g/mol. Its IUPAC name is (E)-4-chloro-5-methylsulfanylpent-2-ene.
Molecular Properties
| Compound Name | (E)-4-chloro-5-methylsulfanylpent-2-ene |
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| PubChem CID | 119098147 |
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| Molecular Formula | C6H11ClS |
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| Molecular Weight | 150.67 g/mol |
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| Exact Mass | 150.03 |
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| IUPAC Name | (E)-4-chloro-5-methylsulfanylpent-2-ene |
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| SMILES | C/C=C/C(Cl)CSC |
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| InChI | InChI=1S/C6H11ClS/c1-3-4-6(7)5-8-2/h3-4,6H,5H2,1-2H3/b4-3+ |
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| InChIKey | SOACCVUUJIZFJO-ONEGZZNKSA-N |
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| XLogP | 2.53 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 8 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 150.67 |
| LogP ≤ 5 | 2.53 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (E)-4-chloro-5-methylsulfanylpent-2-ene?
The IUPAC name of (E)-4-chloro-5-methylsulfanylpent-2-ene (CID 119098147) is (E)-4-chloro-5-methylsulfanylpent-2-ene.
What is the SMILES notation for (E)-4-chloro-5-methylsulfanylpent-2-ene?
The canonical SMILES for (E)-4-chloro-5-methylsulfanylpent-2-ene is C/C=C/C(Cl)CSC.
What is the InChIKey of (E)-4-chloro-5-methylsulfanylpent-2-ene?
The InChIKey is SOACCVUUJIZFJO-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H11ClS/c1-3-4-6(7)5-8-2/h3-4,6H,5H2,1-2H3/b4-3+.
What are the key properties of (E)-4-chloro-5-methylsulfanylpent-2-ene?
(E)-4-chloro-5-methylsulfanylpent-2-ene has a molecular weight of 150.67 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-chloro-5-methylsulfanylpent-2-ene is sourced from PubChem (CID 119098147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).