5,5-dimethylthieno[3,2-b]pyran 1-oxide

C9H10O2S — CID 67836000

IUPAC5,5-dimethylthieno[3,2-b]pyran 1-oxide
SMILESCC1(C)C=CC2=C(C=CS2=O)O1
InChIInChI=1S/C9H10O2S/c1-9(2)5-3-8-7(11-9)4-6-12(8)10/h3-6H,1-2H3
InChIKeyDKFIENVXZSJUJM-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.84
Rot. Bonds

About 5,5-dimethylthieno[3,2-b]pyran 1-oxide

5,5-dimethylthieno[3,2-b]pyran 1-oxide (PubChem CID 67836000) has the molecular formula C9H10O2S and a molecular weight of 182.24 g/mol. Its IUPAC name is 5,5-dimethylthieno[3,2-b]pyran 1-oxide.

Molecular Properties

Compound Name5,5-dimethylthieno[3,2-b]pyran 1-oxide
PubChem CID67836000
Molecular FormulaC9H10O2S
Molecular Weight182.24 g/mol
Exact Mass182.04
IUPAC Name5,5-dimethylthieno[3,2-b]pyran 1-oxide
SMILESCC1(C)C=CC2=C(C=CS2=O)O1
InChIInChI=1S/C9H10O2S/c1-9(2)5-3-8-7(11-9)4-6-12(8)10/h3-6H,1-2H3
InChIKeyDKFIENVXZSJUJM-UHFFFAOYSA-N
XLogP1.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylthieno[3,2-b]pyran 1-oxide?
The IUPAC name of 5,5-dimethylthieno[3,2-b]pyran 1-oxide (CID 67836000) is 5,5-dimethylthieno[3,2-b]pyran 1-oxide.
What is the SMILES notation for 5,5-dimethylthieno[3,2-b]pyran 1-oxide?
The canonical SMILES for 5,5-dimethylthieno[3,2-b]pyran 1-oxide is CC1(C)C=CC2=C(C=CS2=O)O1.
What is the InChIKey of 5,5-dimethylthieno[3,2-b]pyran 1-oxide?
The InChIKey is DKFIENVXZSJUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2S/c1-9(2)5-3-8-7(11-9)4-6-12(8)10/h3-6H,1-2H3.
What are the key properties of 5,5-dimethylthieno[3,2-b]pyran 1-oxide?
5,5-dimethylthieno[3,2-b]pyran 1-oxide has a molecular weight of 182.24 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 5,5-dimethylthieno[3,2-b]pyran 1-oxide is sourced from PubChem (CID 67836000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).