5-ethyl-1,3-oxathiolane-2-thione

C5H8OS2 — CID 14024146

IUPAC5-ethyl-1,3-oxathiolane-2-thione
SMILESCCC1CSC(=S)O1
InChIInChI=1S/C5H8OS2/c1-2-4-3-8-5(7)6-4/h4H,2-3H2,1H3
InChIKeyQRPNHWWWYYYOGC-UHFFFAOYSA-N
MW148.25 g/mol
LogP1.81
Rot. Bonds1

About 5-ethyl-1,3-oxathiolane-2-thione

5-ethyl-1,3-oxathiolane-2-thione (PubChem CID 14024146) has the molecular formula C5H8OS2 and a molecular weight of 148.25 g/mol. Its IUPAC name is 5-ethyl-1,3-oxathiolane-2-thione.

Molecular Properties

Compound Name5-ethyl-1,3-oxathiolane-2-thione
PubChem CID14024146
Molecular FormulaC5H8OS2
Molecular Weight148.25 g/mol
Exact Mass148.00
IUPAC Name5-ethyl-1,3-oxathiolane-2-thione
SMILESCCC1CSC(=S)O1
InChIInChI=1S/C5H8OS2/c1-2-4-3-8-5(7)6-4/h4H,2-3H2,1H3
InChIKeyQRPNHWWWYYYOGC-UHFFFAOYSA-N
XLogP1.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3-oxathiolane-2-thione?
The IUPAC name of 5-ethyl-1,3-oxathiolane-2-thione (CID 14024146) is 5-ethyl-1,3-oxathiolane-2-thione.
What is the SMILES notation for 5-ethyl-1,3-oxathiolane-2-thione?
The canonical SMILES for 5-ethyl-1,3-oxathiolane-2-thione is CCC1CSC(=S)O1.
What is the InChIKey of 5-ethyl-1,3-oxathiolane-2-thione?
The InChIKey is QRPNHWWWYYYOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS2/c1-2-4-3-8-5(7)6-4/h4H,2-3H2,1H3.
What are the key properties of 5-ethyl-1,3-oxathiolane-2-thione?
5-ethyl-1,3-oxathiolane-2-thione has a molecular weight of 148.25 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3-oxathiolane-2-thione is sourced from PubChem (CID 14024146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).