5,8a-dihydrothiopyrano[4,3-b]pyran

C8H8OS — CID 70629360

IUPAC5,8a-dihydrothiopyrano[4,3-b]pyran
SMILESC1=COC2C=CSCC2=C1
InChIInChI=1S/C8H8OS/c1-2-7-6-10-5-3-8(7)9-4-1/h1-5,8H,6H2
InChIKeyJHMAXSUXLIRBDE-UHFFFAOYSA-N
MW152.22 g/mol
LogP2.09
Rot. Bonds

About 5,8a-dihydrothiopyrano[4,3-b]pyran

5,8a-dihydrothiopyrano[4,3-b]pyran (PubChem CID 70629360) has the molecular formula C8H8OS and a molecular weight of 152.22 g/mol. Its IUPAC name is 5,8a-dihydrothiopyrano[4,3-b]pyran.

Molecular Properties

Compound Name5,8a-dihydrothiopyrano[4,3-b]pyran
PubChem CID70629360
Molecular FormulaC8H8OS
Molecular Weight152.22 g/mol
Exact Mass152.03
IUPAC Name5,8a-dihydrothiopyrano[4,3-b]pyran
SMILESC1=COC2C=CSCC2=C1
InChIInChI=1S/C8H8OS/c1-2-7-6-10-5-3-8(7)9-4-1/h1-5,8H,6H2
InChIKeyJHMAXSUXLIRBDE-UHFFFAOYSA-N
XLogP2.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,8a-dihydrothiopyrano[4,3-b]pyran?
The IUPAC name of 5,8a-dihydrothiopyrano[4,3-b]pyran (CID 70629360) is 5,8a-dihydrothiopyrano[4,3-b]pyran.
What is the SMILES notation for 5,8a-dihydrothiopyrano[4,3-b]pyran?
The canonical SMILES for 5,8a-dihydrothiopyrano[4,3-b]pyran is C1=COC2C=CSCC2=C1.
What is the InChIKey of 5,8a-dihydrothiopyrano[4,3-b]pyran?
The InChIKey is JHMAXSUXLIRBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8OS/c1-2-7-6-10-5-3-8(7)9-4-1/h1-5,8H,6H2.
What are the key properties of 5,8a-dihydrothiopyrano[4,3-b]pyran?
5,8a-dihydrothiopyrano[4,3-b]pyran has a molecular weight of 152.22 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8a-dihydrothiopyrano[4,3-b]pyran is sourced from PubChem (CID 70629360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).