(5Z)-7,8-dihydro-4H-1,3-oxathionin-9-one

C7H10O2S — CID 134924246

IUPAC(5Z)-7,8-dihydro-4H-1,3-oxathionin-9-one
SMILESO=C1CC/C=C\CSCO1
InChIInChI=1S/C7H10O2S/c8-7-4-2-1-3-5-10-6-9-7/h1,3H,2,4-6H2/b3-1-
InChIKeyZPVBMYFCLLKDHC-IWQZZHSRSA-N
MW158.22 g/mol
LogP1.57
Rot. Bonds

About (5Z)-7,8-dihydro-4H-1,3-oxathionin-9-one

(5Z)-7,8-dihydro-4H-1,3-oxathionin-9-one (PubChem CID 134924246) has the molecular formula C7H10O2S and a molecular weight of 158.22 g/mol. Its IUPAC name is (5Z)-7,8-dihydro-4H-1,3-oxathionin-9-one.

Molecular Properties

Compound Name(5Z)-7,8-dihydro-4H-1,3-oxathionin-9-one
PubChem CID134924246
Molecular FormulaC7H10O2S
Molecular Weight158.22 g/mol
Exact Mass158.04
IUPAC Name(5Z)-7,8-dihydro-4H-1,3-oxathionin-9-one
SMILESO=C1CC/C=C\CSCO1
InChIInChI=1S/C7H10O2S/c8-7-4-2-1-3-5-10-6-9-7/h1,3H,2,4-6H2/b3-1-
InChIKeyZPVBMYFCLLKDHC-IWQZZHSRSA-N
XLogP1.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 51.57
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 (5Z)-7,8-dihydro-4H-1,3-oxathionin-9-one?
The IUPAC name of (5Z)-7,8-dihydro-4H-1,3-oxathionin-9-one (CID 134924246) is (5Z)-7,8-dihydro-4H-1,3-oxathionin-9-one.
What is the SMILES notation for (5Z)-7,8-dihydro-4H-1,3-oxathionin-9-one?
The canonical SMILES for (5Z)-7,8-dihydro-4H-1,3-oxathionin-9-one is O=C1CC/C=C\CSCO1.
What is the InChIKey of (5Z)-7,8-dihydro-4H-1,3-oxathionin-9-one?
The InChIKey is ZPVBMYFCLLKDHC-IWQZZHSRSA-N. The full InChI is InChI=1S/C7H10O2S/c8-7-4-2-1-3-5-10-6-9-7/h1,3H,2,4-6H2/b3-1-.
What are the key properties of (5Z)-7,8-dihydro-4H-1,3-oxathionin-9-one?
(5Z)-7,8-dihydro-4H-1,3-oxathionin-9-one has a molecular weight of 158.22 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-7,8-dihydro-4H-1,3-oxathionin-9-one is sourced from PubChem (CID 134924246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).