2,3,4,4a,6,7,8,8a-octahydrothiopyrano[3,2-b]pyran

C8H14OS — CID 118210171

IUPAC2,3,4,4a,6,7,8,8a-octahydrothiopyrano[3,2-b]pyran
SMILESC1CSC2CCCOC2C1
InChIInChI=1S/C8H14OS/c1-4-8-7(9-5-1)3-2-6-10-8/h7-8H,1-6H2
InChIKeySJEHUHIIJDRFJE-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.06
Rot. Bonds

About 2,3,4,4a,6,7,8,8a-octahydrothiopyrano[3,2-b]pyran

2,3,4,4a,6,7,8,8a-octahydrothiopyrano[3,2-b]pyran (PubChem CID 118210171) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 2,3,4,4a,6,7,8,8a-octahydrothiopyrano[3,2-b]pyran.

Molecular Properties

Compound Name2,3,4,4a,6,7,8,8a-octahydrothiopyrano[3,2-b]pyran
PubChem CID118210171
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name2,3,4,4a,6,7,8,8a-octahydrothiopyrano[3,2-b]pyran
SMILESC1CSC2CCCOC2C1
InChIInChI=1S/C8H14OS/c1-4-8-7(9-5-1)3-2-6-10-8/h7-8H,1-6H2
InChIKeySJEHUHIIJDRFJE-UHFFFAOYSA-N
XLogP2.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,6,7,8,8a-octahydrothiopyrano[3,2-b]pyran?
The IUPAC name of 2,3,4,4a,6,7,8,8a-octahydrothiopyrano[3,2-b]pyran (CID 118210171) is 2,3,4,4a,6,7,8,8a-octahydrothiopyrano[3,2-b]pyran.
What is the SMILES notation for 2,3,4,4a,6,7,8,8a-octahydrothiopyrano[3,2-b]pyran?
The canonical SMILES for 2,3,4,4a,6,7,8,8a-octahydrothiopyrano[3,2-b]pyran is C1CSC2CCCOC2C1.
What is the InChIKey of 2,3,4,4a,6,7,8,8a-octahydrothiopyrano[3,2-b]pyran?
The InChIKey is SJEHUHIIJDRFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-4-8-7(9-5-1)3-2-6-10-8/h7-8H,1-6H2.
What are the key properties of 2,3,4,4a,6,7,8,8a-octahydrothiopyrano[3,2-b]pyran?
2,3,4,4a,6,7,8,8a-octahydrothiopyrano[3,2-b]pyran has a molecular weight of 158.27 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,6,7,8,8a-octahydrothiopyrano[3,2-b]pyran is sourced from PubChem (CID 118210171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).