(E)-2-ethyl-4-fluoro-4-methylpent-2-ene-1-thiol

C₈H₁₅FS — CID 130392781

About (E)-2-ethyl-4-fluoro-4-methylpent-2-ene-1-thiol

(E)-2-ethyl-4-fluoro-4-methylpent-2-ene-1-thiol (PubChem CID 130392781) has the molecular formula C₈H₁₅FS and a molecular weight of 162.27 g/mol. Its IUPAC name is (E)-2-ethyl-4-fluoro-4-methylpent-2-ene-1-thiol.

Molecular Properties

• Compound Name: (E)-2-ethyl-4-fluoro-4-methylpent-2-ene-1-thiol
• PubChem CID: 130392781
• Molecular Formula: C₈H₁₅FS
• Molecular Weight: 162.27 g/mol
• Exact Mass: 162.09
• IUPAC Name: (E)-2-ethyl-4-fluoro-4-methylpent-2-ene-1-thiol
• SMILES: CC/C(=C\C(C)(C)F)CS
• InChI: InChI=1S/C8H15FS/c1-4-7(6-10)5-8(2,3)9/h5,10H,4,6H2,1-3H3/b7-5+
• InChIKey: ZTXCKJPMINULPP-FNORWQNLSA-N
• XLogP: 3.00
• TPSA: 0.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	162.27
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethyl-4-fluoro-4-methylpent-2-ene-1-thiol?

The IUPAC name of (E)-2-ethyl-4-fluoro-4-methylpent-2-ene-1-thiol (CID 130392781) is (E)-2-ethyl-4-fluoro-4-methylpent-2-ene-1-thiol.

What is the SMILES notation for (E)-2-ethyl-4-fluoro-4-methylpent-2-ene-1-thiol?

The canonical SMILES for (E)-2-ethyl-4-fluoro-4-methylpent-2-ene-1-thiol is CC/C(=C\C(C)(C)F)CS.

What is the InChIKey of (E)-2-ethyl-4-fluoro-4-methylpent-2-ene-1-thiol?

The InChIKey is ZTXCKJPMINULPP-FNORWQNLSA-N. The full InChI is InChI=1S/C8H15FS/c1-4-7(6-10)5-8(2,3)9/h5,10H,4,6H2,1-3H3/b7-5+.

What are the key properties of (E)-2-ethyl-4-fluoro-4-methylpent-2-ene-1-thiol?

(E)-2-ethyl-4-fluoro-4-methylpent-2-ene-1-thiol has a molecular weight of 162.27 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-2-ethyl-4-fluoro-4-methylpent-2-ene-1-thiol is sourced from PubChem (CID 130392781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 130392781 — identifiers, structure, computed properties (public domain)

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