(3-ethylthietan-3-yl)methanol

C₆H₁₂OS — CID 141475028

About (3-ethylthietan-3-yl)methanol

(3-ethylthietan-3-yl)methanol (PubChem CID 141475028) has the molecular formula C₆H₁₂OS and a molecular weight of 132.23 g/mol. Its IUPAC name is (3-ethylthietan-3-yl)methanol.

Molecular Properties

• Compound Name: (3-ethylthietan-3-yl)methanol
• PubChem CID: 141475028
• Molecular Formula: C₆H₁₂OS
• Molecular Weight: 132.23 g/mol
• Exact Mass: 132.06
• IUPAC Name: (3-ethylthietan-3-yl)methanol
• SMILES: CCC1(CO)CSC1
• InChI: InChI=1S/C6H12OS/c1-2-6(3-7)4-8-5-6/h7H,2-5H2,1H3
• InChIKey: TUDXXAQQEBHUQI-UHFFFAOYSA-N
• XLogP: 1.12
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	132.23
LogP ≤ 5	1.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (3-ethylthietan-3-yl)methanol?

The IUPAC name of (3-ethylthietan-3-yl)methanol (CID 141475028) is (3-ethylthietan-3-yl)methanol.

What is the SMILES notation for (3-ethylthietan-3-yl)methanol?

The canonical SMILES for (3-ethylthietan-3-yl)methanol is CCC1(CO)CSC1.

What is the InChIKey of (3-ethylthietan-3-yl)methanol?

The InChIKey is TUDXXAQQEBHUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c1-2-6(3-7)4-8-5-6/h7H,2-5H2,1H3.

What are the key properties of (3-ethylthietan-3-yl)methanol?

(3-ethylthietan-3-yl)methanol has a molecular weight of 132.23 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3-ethylthietan-3-yl)methanol is sourced from PubChem (CID 141475028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141475028 — identifiers, structure, computed properties (public domain)

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