(6Z)-5,8-dihydro-1,4-oxathiocin-2-one

C6H8O2S — CID 14660795

IUPAC(6Z)-5,8-dihydro-1,4-oxathiocin-2-one
SMILESO=C1CSC/C=C\CO1
InChIInChI=1S/C6H8O2S/c7-6-5-9-4-2-1-3-8-6/h1-2H,3-5H2/b2-1-
InChIKeyYPQQJVPPJAGOEP-UPHRSURJSA-N
MW144.19 g/mol
LogP0.83
Rot. Bonds

About (6Z)-5,8-dihydro-1,4-oxathiocin-2-one

(6Z)-5,8-dihydro-1,4-oxathiocin-2-one (PubChem CID 14660795) has the molecular formula C6H8O2S and a molecular weight of 144.19 g/mol. Its IUPAC name is (6Z)-5,8-dihydro-1,4-oxathiocin-2-one.

Molecular Properties

Compound Name(6Z)-5,8-dihydro-1,4-oxathiocin-2-one
PubChem CID14660795
Molecular FormulaC6H8O2S
Molecular Weight144.19 g/mol
Exact Mass144.02
IUPAC Name(6Z)-5,8-dihydro-1,4-oxathiocin-2-one
SMILESO=C1CSC/C=C\CO1
InChIInChI=1S/C6H8O2S/c7-6-5-9-4-2-1-3-8-6/h1-2H,3-5H2/b2-1-
InChIKeyYPQQJVPPJAGOEP-UPHRSURJSA-N
XLogP0.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z)-5,8-dihydro-1,4-oxathiocin-2-one?
The IUPAC name of (6Z)-5,8-dihydro-1,4-oxathiocin-2-one (CID 14660795) is (6Z)-5,8-dihydro-1,4-oxathiocin-2-one.
What is the SMILES notation for (6Z)-5,8-dihydro-1,4-oxathiocin-2-one?
The canonical SMILES for (6Z)-5,8-dihydro-1,4-oxathiocin-2-one is O=C1CSC/C=C\CO1.
What is the InChIKey of (6Z)-5,8-dihydro-1,4-oxathiocin-2-one?
The InChIKey is YPQQJVPPJAGOEP-UPHRSURJSA-N. The full InChI is InChI=1S/C6H8O2S/c7-6-5-9-4-2-1-3-8-6/h1-2H,3-5H2/b2-1-.
What are the key properties of (6Z)-5,8-dihydro-1,4-oxathiocin-2-one?
(6Z)-5,8-dihydro-1,4-oxathiocin-2-one has a molecular weight of 144.19 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-5,8-dihydro-1,4-oxathiocin-2-one is sourced from PubChem (CID 14660795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).