3-(furan-3-yl)-1,1-dioxothiolan-3-ol

C8H10O4S — CID 63947721

IUPAC3-(furan-3-yl)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CCC(O)(c2ccoc2)C1
InChIInChI=1S/C8H10O4S/c9-8(7-1-3-12-5-7)2-4-13(10,11)6-8/h1,3,5,9H,2,4,6H2
InChIKeyYMPJEKFUKSIWJR-UHFFFAOYSA-N
MW202.23 g/mol
LogP0.29
Rot. Bonds1

About 3-(furan-3-yl)-1,1-dioxothiolan-3-ol

3-(furan-3-yl)-1,1-dioxothiolan-3-ol (PubChem CID 63947721) has the molecular formula C8H10O4S and a molecular weight of 202.23 g/mol. Its IUPAC name is 3-(furan-3-yl)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name3-(furan-3-yl)-1,1-dioxothiolan-3-ol
PubChem CID63947721
Molecular FormulaC8H10O4S
Molecular Weight202.23 g/mol
Exact Mass202.03
IUPAC Name3-(furan-3-yl)-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CCC(O)(c2ccoc2)C1
InChIInChI=1S/C8H10O4S/c9-8(7-1-3-12-5-7)2-4-13(10,11)6-8/h1,3,5,9H,2,4,6H2
InChIKeyYMPJEKFUKSIWJR-UHFFFAOYSA-N
XLogP0.29
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-1,1-dioxothiolan-3-ol?
The IUPAC name of 3-(furan-3-yl)-1,1-dioxothiolan-3-ol (CID 63947721) is 3-(furan-3-yl)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 3-(furan-3-yl)-1,1-dioxothiolan-3-ol?
The canonical SMILES for 3-(furan-3-yl)-1,1-dioxothiolan-3-ol is O=S1(=O)CCC(O)(c2ccoc2)C1.
What is the InChIKey of 3-(furan-3-yl)-1,1-dioxothiolan-3-ol?
The InChIKey is YMPJEKFUKSIWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4S/c9-8(7-1-3-12-5-7)2-4-13(10,11)6-8/h1,3,5,9H,2,4,6H2.
What are the key properties of 3-(furan-3-yl)-1,1-dioxothiolan-3-ol?
3-(furan-3-yl)-1,1-dioxothiolan-3-ol has a molecular weight of 202.23 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 63947721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).