3-(2H-pyran-6-yl)thiane 1-oxide

C10H14O2S — CID 57014029

IUPAC3-(2H-pyran-6-yl)thiane 1-oxide
SMILESO=S1CCCC(C2=CC=CCO2)C1
InChIInChI=1S/C10H14O2S/c11-13-7-3-4-9(8-13)10-5-1-2-6-12-10/h1-2,5,9H,3-4,6-8H2
InChIKeyOSFRXRYXHBWPHM-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.62
Rot. Bonds1

About 3-(2H-pyran-6-yl)thiane 1-oxide

3-(2H-pyran-6-yl)thiane 1-oxide (PubChem CID 57014029) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 3-(2H-pyran-6-yl)thiane 1-oxide.

Molecular Properties

Compound Name3-(2H-pyran-6-yl)thiane 1-oxide
PubChem CID57014029
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name3-(2H-pyran-6-yl)thiane 1-oxide
SMILESO=S1CCCC(C2=CC=CCO2)C1
InChIInChI=1S/C10H14O2S/c11-13-7-3-4-9(8-13)10-5-1-2-6-12-10/h1-2,5,9H,3-4,6-8H2
InChIKeyOSFRXRYXHBWPHM-UHFFFAOYSA-N
XLogP1.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2H-pyran-6-yl)thiane 1-oxide?
The IUPAC name of 3-(2H-pyran-6-yl)thiane 1-oxide (CID 57014029) is 3-(2H-pyran-6-yl)thiane 1-oxide.
What is the SMILES notation for 3-(2H-pyran-6-yl)thiane 1-oxide?
The canonical SMILES for 3-(2H-pyran-6-yl)thiane 1-oxide is O=S1CCCC(C2=CC=CCO2)C1.
What is the InChIKey of 3-(2H-pyran-6-yl)thiane 1-oxide?
The InChIKey is OSFRXRYXHBWPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c11-13-7-3-4-9(8-13)10-5-1-2-6-12-10/h1-2,5,9H,3-4,6-8H2.
What are the key properties of 3-(2H-pyran-6-yl)thiane 1-oxide?
3-(2H-pyran-6-yl)thiane 1-oxide has a molecular weight of 198.29 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-pyran-6-yl)thiane 1-oxide is sourced from PubChem (CID 57014029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).