2-methyl-1-(oxiran-2-yl)prop-2-ene-1-thione

C₆H₈OS — CID 155571324

About 2-methyl-1-(oxiran-2-yl)prop-2-ene-1-thione

2-methyl-1-(oxiran-2-yl)prop-2-ene-1-thione (PubChem CID 155571324) has the molecular formula C₆H₈OS and a molecular weight of 128.20 g/mol. Its IUPAC name is 2-methyl-1-(oxiran-2-yl)prop-2-ene-1-thione.

Molecular Properties

• Compound Name: 2-methyl-1-(oxiran-2-yl)prop-2-ene-1-thione
• PubChem CID: 155571324
• Molecular Formula: C₆H₈OS
• Molecular Weight: 128.20 g/mol
• Exact Mass: 128.03
• IUPAC Name: 2-methyl-1-(oxiran-2-yl)prop-2-ene-1-thione
• SMILES: C=C(C)C(=S)C1CO1
• InChI: InChI=1S/C6H8OS/c1-4(2)6(8)5-3-7-5/h5H,1,3H2,2H3
• InChIKey: UJGQYCWMDNQHAE-UHFFFAOYSA-N
• XLogP: 1.33
• TPSA: 12.53 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	128.20
LogP ≤ 5	1.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(oxiran-2-yl)prop-2-ene-1-thione?

The IUPAC name of 2-methyl-1-(oxiran-2-yl)prop-2-ene-1-thione (CID 155571324) is 2-methyl-1-(oxiran-2-yl)prop-2-ene-1-thione.

What is the SMILES notation for 2-methyl-1-(oxiran-2-yl)prop-2-ene-1-thione?

The canonical SMILES for 2-methyl-1-(oxiran-2-yl)prop-2-ene-1-thione is C=C(C)C(=S)C1CO1.

What is the InChIKey of 2-methyl-1-(oxiran-2-yl)prop-2-ene-1-thione?

The InChIKey is UJGQYCWMDNQHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8OS/c1-4(2)6(8)5-3-7-5/h5H,1,3H2,2H3.

What are the key properties of 2-methyl-1-(oxiran-2-yl)prop-2-ene-1-thione?

2-methyl-1-(oxiran-2-yl)prop-2-ene-1-thione has a molecular weight of 128.20 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1-(oxiran-2-yl)prop-2-ene-1-thione is sourced from PubChem (CID 155571324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155571324 — identifiers, structure, computed properties (public domain)

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