Ethane;5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine

C₉H₁₉NS — CID 142155612

About Ethane;5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine

Ethane;5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine (PubChem CID 142155612) has the molecular formula C₉H₁₉NS and a molecular weight of 173.32 g/mol. Its IUPAC name is ethane;5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

• Compound Name: Ethane;5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
• PubChem CID: 142155612
• Molecular Formula: C₉H₁₉NS
• Molecular Weight: 173.32 g/mol
• Exact Mass: 173.12
• IUPAC Name: ethane;5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
• SMILES: CC.CSC1=C(C)CNCC1
• InChI: InChI=1S/C7H13NS.C2H6/c1-6-5-8-4-3-7(6)9-2;1-2/h8H,3-5H2,1-2H3;1-2H3
• InChIKey: OUSLILCSDHCLRW-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	173.32
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Ethane;5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine?

The IUPAC name of Ethane;5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine (CID 142155612) is ethane;5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine.

What is the SMILES notation for Ethane;5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine?

The canonical SMILES for Ethane;5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine is CC.CSC1=C(C)CNCC1.

What is the InChIKey of Ethane;5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine?

The InChIKey is OUSLILCSDHCLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS.C2H6/c1-6-5-8-4-3-7(6)9-2;1-2/h8H,3-5H2,1-2H3;1-2H3.

What are the key properties of Ethane;5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine?

Ethane;5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine has a molecular weight of 173.32 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Ethane;5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 142155612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142155612 — identifiers, structure, computed properties (public domain)

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