3-methylsulfinyl-3,4-dihydro-2H-pyran

C6H10O2S — CID 129215890

IUPAC3-methylsulfinyl-3,4-dihydro-2H-pyran
SMILESCS(=O)C1CC=COC1
InChIInChI=1S/C6H10O2S/c1-9(7)6-3-2-4-8-5-6/h2,4,6H,3,5H2,1H3
InChIKeyYUKAVNCBQPQRMP-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.67
Rot. Bonds1

About 3-methylsulfinyl-3,4-dihydro-2H-pyran

3-methylsulfinyl-3,4-dihydro-2H-pyran (PubChem CID 129215890) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is 3-methylsulfinyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name3-methylsulfinyl-3,4-dihydro-2H-pyran
PubChem CID129215890
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name3-methylsulfinyl-3,4-dihydro-2H-pyran
SMILESCS(=O)C1CC=COC1
InChIInChI=1S/C6H10O2S/c1-9(7)6-3-2-4-8-5-6/h2,4,6H,3,5H2,1H3
InChIKeyYUKAVNCBQPQRMP-UHFFFAOYSA-N
XLogP0.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfinyl-3,4-dihydro-2H-pyran?
The IUPAC name of 3-methylsulfinyl-3,4-dihydro-2H-pyran (CID 129215890) is 3-methylsulfinyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 3-methylsulfinyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 3-methylsulfinyl-3,4-dihydro-2H-pyran is CS(=O)C1CC=COC1.
What is the InChIKey of 3-methylsulfinyl-3,4-dihydro-2H-pyran?
The InChIKey is YUKAVNCBQPQRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c1-9(7)6-3-2-4-8-5-6/h2,4,6H,3,5H2,1H3.
What are the key properties of 3-methylsulfinyl-3,4-dihydro-2H-pyran?
3-methylsulfinyl-3,4-dihydro-2H-pyran has a molecular weight of 146.21 g/mol, XLogP of 0.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfinyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 129215890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).