2,3,4,4a-tetrahydrothiopyrano[3,2-b]pyran

C8H10OS — CID 138376768

IUPAC2,3,4,4a-tetrahydrothiopyrano[3,2-b]pyran
SMILESC1=CSC2CCCOC2=C1
InChIInChI=1S/C8H10OS/c1-4-8-7(9-5-1)3-2-6-10-8/h2-3,6,8H,1,4-5H2
InChIKeyLEYPUJJDIRLWJY-UHFFFAOYSA-N
MW154.23 g/mol
LogP2.31
Rot. Bonds

About 2,3,4,4a-tetrahydrothiopyrano[3,2-b]pyran

2,3,4,4a-tetrahydrothiopyrano[3,2-b]pyran (PubChem CID 138376768) has the molecular formula C8H10OS and a molecular weight of 154.23 g/mol. Its IUPAC name is 2,3,4,4a-tetrahydrothiopyrano[3,2-b]pyran.

Molecular Properties

Compound Name2,3,4,4a-tetrahydrothiopyrano[3,2-b]pyran
PubChem CID138376768
Molecular FormulaC8H10OS
Molecular Weight154.23 g/mol
Exact Mass154.05
IUPAC Name2,3,4,4a-tetrahydrothiopyrano[3,2-b]pyran
SMILESC1=CSC2CCCOC2=C1
InChIInChI=1S/C8H10OS/c1-4-8-7(9-5-1)3-2-6-10-8/h2-3,6,8H,1,4-5H2
InChIKeyLEYPUJJDIRLWJY-UHFFFAOYSA-N
XLogP2.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 52.31
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-tetrahydrothiopyrano[3,2-b]pyran?
The IUPAC name of 2,3,4,4a-tetrahydrothiopyrano[3,2-b]pyran (CID 138376768) is 2,3,4,4a-tetrahydrothiopyrano[3,2-b]pyran.
What is the SMILES notation for 2,3,4,4a-tetrahydrothiopyrano[3,2-b]pyran?
The canonical SMILES for 2,3,4,4a-tetrahydrothiopyrano[3,2-b]pyran is C1=CSC2CCCOC2=C1.
What is the InChIKey of 2,3,4,4a-tetrahydrothiopyrano[3,2-b]pyran?
The InChIKey is LEYPUJJDIRLWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS/c1-4-8-7(9-5-1)3-2-6-10-8/h2-3,6,8H,1,4-5H2.
What are the key properties of 2,3,4,4a-tetrahydrothiopyrano[3,2-b]pyran?
2,3,4,4a-tetrahydrothiopyrano[3,2-b]pyran has a molecular weight of 154.23 g/mol, XLogP of 2.31, 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-tetrahydrothiopyrano[3,2-b]pyran is sourced from PubChem (CID 138376768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).