3,3a,4,5,7,7a-hexahydrothiopyrano[3,4-b]furan-2-one

C7H10O2S — CID 105431034

IUPAC3,3a,4,5,7,7a-hexahydrothiopyrano[3,4-b]furan-2-one
SMILESO=C1CC2CCSCC2O1
InChIInChI=1S/C7H10O2S/c8-7-3-5-1-2-10-4-6(5)9-7/h5-6H,1-4H2
InChIKeyKDFHTAWXNYNTCY-UHFFFAOYSA-N
MW158.22 g/mol
LogP1.05
Rot. Bonds

About 3,3a,4,5,7,7a-hexahydrothiopyrano[3,4-b]furan-2-one

3,3a,4,5,7,7a-hexahydrothiopyrano[3,4-b]furan-2-one (PubChem CID 105431034) has the molecular formula C7H10O2S and a molecular weight of 158.22 g/mol. Its IUPAC name is 3,3a,4,5,7,7a-hexahydrothiopyrano[3,4-b]furan-2-one.

Molecular Properties

Compound Name3,3a,4,5,7,7a-hexahydrothiopyrano[3,4-b]furan-2-one
PubChem CID105431034
Molecular FormulaC7H10O2S
Molecular Weight158.22 g/mol
Exact Mass158.04
IUPAC Name3,3a,4,5,7,7a-hexahydrothiopyrano[3,4-b]furan-2-one
SMILESO=C1CC2CCSCC2O1
InChIInChI=1S/C7H10O2S/c8-7-3-5-1-2-10-4-6(5)9-7/h5-6H,1-4H2
InChIKeyKDFHTAWXNYNTCY-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,7,7a-hexahydrothiopyrano[3,4-b]furan-2-one?
The IUPAC name of 3,3a,4,5,7,7a-hexahydrothiopyrano[3,4-b]furan-2-one (CID 105431034) is 3,3a,4,5,7,7a-hexahydrothiopyrano[3,4-b]furan-2-one.
What is the SMILES notation for 3,3a,4,5,7,7a-hexahydrothiopyrano[3,4-b]furan-2-one?
The canonical SMILES for 3,3a,4,5,7,7a-hexahydrothiopyrano[3,4-b]furan-2-one is O=C1CC2CCSCC2O1.
What is the InChIKey of 3,3a,4,5,7,7a-hexahydrothiopyrano[3,4-b]furan-2-one?
The InChIKey is KDFHTAWXNYNTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2S/c8-7-3-5-1-2-10-4-6(5)9-7/h5-6H,1-4H2.
What are the key properties of 3,3a,4,5,7,7a-hexahydrothiopyrano[3,4-b]furan-2-one?
3,3a,4,5,7,7a-hexahydrothiopyrano[3,4-b]furan-2-one has a molecular weight of 158.22 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,7,7a-hexahydrothiopyrano[3,4-b]furan-2-one is sourced from PubChem (CID 105431034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).