5-Tert-butyl-2,3-dihydrothiophene

C₈H₁₄S — CID 15191430

About 5-Tert-butyl-2,3-dihydrothiophene

5-Tert-butyl-2,3-dihydrothiophene (PubChem CID 15191430) has the molecular formula C₈H₁₄S and a molecular weight of 142.27 g/mol. Its IUPAC name is 5-tert-butyl-2,3-dihydrothiophene.

Molecular Properties

• Compound Name: 5-Tert-butyl-2,3-dihydrothiophene
• PubChem CID: 15191430
• Molecular Formula: C₈H₁₄S
• Molecular Weight: 142.27 g/mol
• Exact Mass: 142.08
• IUPAC Name: 5-tert-butyl-2,3-dihydrothiophene
• SMILES: CC(C)(C)C1=CCCS1
• InChI: InChI=1S/C8H14S/c1-8(2,3)7-5-4-6-9-7/h5H,4,6H2,1-3H3
• InChIKey: RZRAGWAYDKJXLD-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 0.00 Ų
• H-Bond Acceptors: 1
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	142.27
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 5-Tert-butyl-2,3-dihydrothiophene?

The IUPAC name of 5-Tert-butyl-2,3-dihydrothiophene (CID 15191430) is 5-tert-butyl-2,3-dihydrothiophene.

What is the SMILES notation for 5-Tert-butyl-2,3-dihydrothiophene?

The canonical SMILES for 5-Tert-butyl-2,3-dihydrothiophene is CC(C)(C)C1=CCCS1.

What is the InChIKey of 5-Tert-butyl-2,3-dihydrothiophene?

The InChIKey is RZRAGWAYDKJXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-8(2,3)7-5-4-6-9-7/h5H,4,6H2,1-3H3.

What are the key properties of 5-Tert-butyl-2,3-dihydrothiophene?

5-Tert-butyl-2,3-dihydrothiophene has a molecular weight of 142.27 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 5-Tert-butyl-2,3-dihydrothiophene is sourced from PubChem (CID 15191430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15191430 — identifiers, structure, computed properties (public domain)

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