2-(4-methyl-3-methylsulfanylphenyl)-1,3-dioxolane

C11H14O2S — CID 11481242

IUPAC2-(4-methyl-3-methylsulfanylphenyl)-1,3-dioxolane
SMILESCSc1cc(C2OCCO2)ccc1C
InChIInChI=1S/C11H14O2S/c1-8-3-4-9(7-10(8)14-2)11-12-5-6-13-11/h3-4,7,11H,5-6H2,1-2H3
InChIKeyKISBRAZFKNBPRD-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.76
Rot. Bonds2

About 2-(4-methyl-3-methylsulfanylphenyl)-1,3-dioxolane

2-(4-methyl-3-methylsulfanylphenyl)-1,3-dioxolane (PubChem CID 11481242) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-(4-methyl-3-methylsulfanylphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(4-methyl-3-methylsulfanylphenyl)-1,3-dioxolane
PubChem CID11481242
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name2-(4-methyl-3-methylsulfanylphenyl)-1,3-dioxolane
SMILESCSc1cc(C2OCCO2)ccc1C
InChIInChI=1S/C11H14O2S/c1-8-3-4-9(7-10(8)14-2)11-12-5-6-13-11/h3-4,7,11H,5-6H2,1-2H3
InChIKeyKISBRAZFKNBPRD-UHFFFAOYSA-N
XLogP2.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-methylsulfanylphenyl)-1,3-dioxolane?
The IUPAC name of 2-(4-methyl-3-methylsulfanylphenyl)-1,3-dioxolane (CID 11481242) is 2-(4-methyl-3-methylsulfanylphenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(4-methyl-3-methylsulfanylphenyl)-1,3-dioxolane?
The canonical SMILES for 2-(4-methyl-3-methylsulfanylphenyl)-1,3-dioxolane is CSc1cc(C2OCCO2)ccc1C.
What is the InChIKey of 2-(4-methyl-3-methylsulfanylphenyl)-1,3-dioxolane?
The InChIKey is KISBRAZFKNBPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c1-8-3-4-9(7-10(8)14-2)11-12-5-6-13-11/h3-4,7,11H,5-6H2,1-2H3.
What are the key properties of 2-(4-methyl-3-methylsulfanylphenyl)-1,3-dioxolane?
2-(4-methyl-3-methylsulfanylphenyl)-1,3-dioxolane has a molecular weight of 210.30 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-methylsulfanylphenyl)-1,3-dioxolane is sourced from PubChem (CID 11481242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).