5,7a-dihydro-3aH-thieno[3,2-b]pyran

C7H8OS — CID 90711172

IUPAC5,7a-dihydro-3aH-thieno[3,2-b]pyran
SMILESC1=CC2SC=CC2OC1
InChIInChI=1S/C7H8OS/c1-2-7-6(8-4-1)3-5-9-7/h1-3,5-7H,4H2
InChIKeyWKEXMTRDLILKNH-UHFFFAOYSA-N
MW140.21 g/mol
LogP1.57
Rot. Bonds

About 5,7a-dihydro-3aH-thieno[3,2-b]pyran

5,7a-dihydro-3aH-thieno[3,2-b]pyran (PubChem CID 90711172) has the molecular formula C7H8OS and a molecular weight of 140.21 g/mol. Its IUPAC name is 5,7a-dihydro-3aH-thieno[3,2-b]pyran.

Molecular Properties

Compound Name5,7a-dihydro-3aH-thieno[3,2-b]pyran
PubChem CID90711172
Molecular FormulaC7H8OS
Molecular Weight140.21 g/mol
Exact Mass140.03
IUPAC Name5,7a-dihydro-3aH-thieno[3,2-b]pyran
SMILESC1=CC2SC=CC2OC1
InChIInChI=1S/C7H8OS/c1-2-7-6(8-4-1)3-5-9-7/h1-3,5-7H,4H2
InChIKeyWKEXMTRDLILKNH-UHFFFAOYSA-N
XLogP1.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 51.57
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 5,7a-dihydro-3aH-thieno[3,2-b]pyran?
The IUPAC name of 5,7a-dihydro-3aH-thieno[3,2-b]pyran (CID 90711172) is 5,7a-dihydro-3aH-thieno[3,2-b]pyran.
What is the SMILES notation for 5,7a-dihydro-3aH-thieno[3,2-b]pyran?
The canonical SMILES for 5,7a-dihydro-3aH-thieno[3,2-b]pyran is C1=CC2SC=CC2OC1.
What is the InChIKey of 5,7a-dihydro-3aH-thieno[3,2-b]pyran?
The InChIKey is WKEXMTRDLILKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8OS/c1-2-7-6(8-4-1)3-5-9-7/h1-3,5-7H,4H2.
What are the key properties of 5,7a-dihydro-3aH-thieno[3,2-b]pyran?
5,7a-dihydro-3aH-thieno[3,2-b]pyran has a molecular weight of 140.21 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7a-dihydro-3aH-thieno[3,2-b]pyran is sourced from PubChem (CID 90711172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).