2,3,5,7,8,8a-hexahydrothiopyrano[4,3-b]pyran

C8H12OS — CID 173407241

IUPAC2,3,5,7,8,8a-hexahydrothiopyrano[4,3-b]pyran
SMILESC1=C2CSCCC2OCC1
InChIInChI=1S/C8H12OS/c1-2-7-6-10-5-3-8(7)9-4-1/h2,8H,1,3-6H2
InChIKeyBKKSFLKQZSECHT-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.84
Rot. Bonds

About 2,3,5,7,8,8a-hexahydrothiopyrano[4,3-b]pyran

2,3,5,7,8,8a-hexahydrothiopyrano[4,3-b]pyran (PubChem CID 173407241) has the molecular formula C8H12OS and a molecular weight of 156.25 g/mol. Its IUPAC name is 2,3,5,7,8,8a-hexahydrothiopyrano[4,3-b]pyran.

Molecular Properties

Compound Name2,3,5,7,8,8a-hexahydrothiopyrano[4,3-b]pyran
PubChem CID173407241
Molecular FormulaC8H12OS
Molecular Weight156.25 g/mol
Exact Mass156.06
IUPAC Name2,3,5,7,8,8a-hexahydrothiopyrano[4,3-b]pyran
SMILESC1=C2CSCCC2OCC1
InChIInChI=1S/C8H12OS/c1-2-7-6-10-5-3-8(7)9-4-1/h2,8H,1,3-6H2
InChIKeyBKKSFLKQZSECHT-UHFFFAOYSA-N
XLogP1.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,3,5,7,8,8a-hexahydrothiopyrano[4,3-b]pyran?
The IUPAC name of 2,3,5,7,8,8a-hexahydrothiopyrano[4,3-b]pyran (CID 173407241) is 2,3,5,7,8,8a-hexahydrothiopyrano[4,3-b]pyran.
What is the SMILES notation for 2,3,5,7,8,8a-hexahydrothiopyrano[4,3-b]pyran?
The canonical SMILES for 2,3,5,7,8,8a-hexahydrothiopyrano[4,3-b]pyran is C1=C2CSCCC2OCC1.
What is the InChIKey of 2,3,5,7,8,8a-hexahydrothiopyrano[4,3-b]pyran?
The InChIKey is BKKSFLKQZSECHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12OS/c1-2-7-6-10-5-3-8(7)9-4-1/h2,8H,1,3-6H2.
What are the key properties of 2,3,5,7,8,8a-hexahydrothiopyrano[4,3-b]pyran?
2,3,5,7,8,8a-hexahydrothiopyrano[4,3-b]pyran has a molecular weight of 156.25 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,7,8,8a-hexahydrothiopyrano[4,3-b]pyran is sourced from PubChem (CID 173407241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).