2-(2-methylsulfinylethyl)-2H-pyran

C8H12O2S — CID 175316335

IUPAC2-(2-methylsulfinylethyl)-2H-pyran
SMILESCS(=O)CCC1C=CC=CO1
InChIInChI=1S/C8H12O2S/c1-11(9)7-5-8-4-2-3-6-10-8/h2-4,6,8H,5,7H2,1H3
InChIKeyICOHLGSSNACDEF-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.22
Rot. Bonds3

About 2-(2-methylsulfinylethyl)-2H-pyran

2-(2-methylsulfinylethyl)-2H-pyran (PubChem CID 175316335) has the molecular formula C8H12O2S and a molecular weight of 172.25 g/mol. Its IUPAC name is 2-(2-methylsulfinylethyl)-2H-pyran.

Molecular Properties

Compound Name2-(2-methylsulfinylethyl)-2H-pyran
PubChem CID175316335
Molecular FormulaC8H12O2S
Molecular Weight172.25 g/mol
Exact Mass172.06
IUPAC Name2-(2-methylsulfinylethyl)-2H-pyran
SMILESCS(=O)CCC1C=CC=CO1
InChIInChI=1S/C8H12O2S/c1-11(9)7-5-8-4-2-3-6-10-8/h2-4,6,8H,5,7H2,1H3
InChIKeyICOHLGSSNACDEF-UHFFFAOYSA-N
XLogP1.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfinylethyl)-2H-pyran?
The IUPAC name of 2-(2-methylsulfinylethyl)-2H-pyran (CID 175316335) is 2-(2-methylsulfinylethyl)-2H-pyran.
What is the SMILES notation for 2-(2-methylsulfinylethyl)-2H-pyran?
The canonical SMILES for 2-(2-methylsulfinylethyl)-2H-pyran is CS(=O)CCC1C=CC=CO1.
What is the InChIKey of 2-(2-methylsulfinylethyl)-2H-pyran?
The InChIKey is ICOHLGSSNACDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2S/c1-11(9)7-5-8-4-2-3-6-10-8/h2-4,6,8H,5,7H2,1H3.
What are the key properties of 2-(2-methylsulfinylethyl)-2H-pyran?
2-(2-methylsulfinylethyl)-2H-pyran has a molecular weight of 172.25 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfinylethyl)-2H-pyran is sourced from PubChem (CID 175316335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).