4-methylideneoxolane-2-thione

C5H6OS — CID 141322214

IUPAC4-methylideneoxolane-2-thione
SMILESC=C1COC(=S)C1
InChIInChI=1S/C5H6OS/c1-4-2-5(7)6-3-4/h1-3H2
InChIKeyBLLFTYQYKGKNOU-UHFFFAOYSA-N
MW114.17 g/mol
LogP1.29
Rot. Bonds

About 4-methylideneoxolane-2-thione

4-methylideneoxolane-2-thione (PubChem CID 141322214) has the molecular formula C5H6OS and a molecular weight of 114.17 g/mol. Its IUPAC name is 4-methylideneoxolane-2-thione.

Molecular Properties

Compound Name4-methylideneoxolane-2-thione
PubChem CID141322214
Molecular FormulaC5H6OS
Molecular Weight114.17 g/mol
Exact Mass114.01
IUPAC Name4-methylideneoxolane-2-thione
SMILESC=C1COC(=S)C1
InChIInChI=1S/C5H6OS/c1-4-2-5(7)6-3-4/h1-3H2
InChIKeyBLLFTYQYKGKNOU-UHFFFAOYSA-N
XLogP1.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.17
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methylideneoxolane-2-thione?
The IUPAC name of 4-methylideneoxolane-2-thione (CID 141322214) is 4-methylideneoxolane-2-thione.
What is the SMILES notation for 4-methylideneoxolane-2-thione?
The canonical SMILES for 4-methylideneoxolane-2-thione is C=C1COC(=S)C1.
What is the InChIKey of 4-methylideneoxolane-2-thione?
The InChIKey is BLLFTYQYKGKNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6OS/c1-4-2-5(7)6-3-4/h1-3H2.
What are the key properties of 4-methylideneoxolane-2-thione?
4-methylideneoxolane-2-thione has a molecular weight of 114.17 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylideneoxolane-2-thione is sourced from PubChem (CID 141322214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).