5-methyloxolane-3-thione

C5H8OS — CID 18379391

IUPAC5-methyloxolane-3-thione
SMILESCC1CC(=S)CO1
InChIInChI=1S/C5H8OS/c1-4-2-5(7)3-6-4/h4H,2-3H2,1H3
InChIKeyQHVXAGJZEXLSOA-UHFFFAOYSA-N
MW116.19 g/mol
LogP1.17
Rot. Bonds

About 5-methyloxolane-3-thione

5-methyloxolane-3-thione (PubChem CID 18379391) has the molecular formula C5H8OS and a molecular weight of 116.19 g/mol. Its IUPAC name is 5-methyloxolane-3-thione.

Molecular Properties

Compound Name5-methyloxolane-3-thione
PubChem CID18379391
Molecular FormulaC5H8OS
Molecular Weight116.19 g/mol
Exact Mass116.03
IUPAC Name5-methyloxolane-3-thione
SMILESCC1CC(=S)CO1
InChIInChI=1S/C5H8OS/c1-4-2-5(7)3-6-4/h4H,2-3H2,1H3
InChIKeyQHVXAGJZEXLSOA-UHFFFAOYSA-N
XLogP1.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.19
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyloxolane-3-thione?
The IUPAC name of 5-methyloxolane-3-thione (CID 18379391) is 5-methyloxolane-3-thione.
What is the SMILES notation for 5-methyloxolane-3-thione?
The canonical SMILES for 5-methyloxolane-3-thione is CC1CC(=S)CO1.
What is the InChIKey of 5-methyloxolane-3-thione?
The InChIKey is QHVXAGJZEXLSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS/c1-4-2-5(7)3-6-4/h4H,2-3H2,1H3.
What are the key properties of 5-methyloxolane-3-thione?
5-methyloxolane-3-thione has a molecular weight of 116.19 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyloxolane-3-thione is sourced from PubChem (CID 18379391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).