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

C10H12O2S — CID 55256041

IUPAC2-(4-methylsulfanylphenyl)-1,3-dioxolane
SMILESCSc1ccc(C2OCCO2)cc1
InChIInChI=1S/C10H12O2S/c1-13-9-4-2-8(3-5-9)10-11-6-7-12-10/h2-5,10H,6-7H2,1H3
InChIKeyZFCSJVQDLZBJFX-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.45
Rot. Bonds2

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

2-(4-methylsulfanylphenyl)-1,3-dioxolane (PubChem CID 55256041) has the molecular formula C10H12O2S and a molecular weight of 196.27 g/mol. Its IUPAC name is 2-(4-methylsulfanylphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(4-methylsulfanylphenyl)-1,3-dioxolane
PubChem CID55256041
Molecular FormulaC10H12O2S
Molecular Weight196.27 g/mol
Exact Mass196.06
IUPAC Name2-(4-methylsulfanylphenyl)-1,3-dioxolane
SMILESCSc1ccc(C2OCCO2)cc1
InChIInChI=1S/C10H12O2S/c1-13-9-4-2-8(3-5-9)10-11-6-7-12-10/h2-5,10H,6-7H2,1H3
InChIKeyZFCSJVQDLZBJFX-UHFFFAOYSA-N
XLogP2.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanylphenyl)-1,3-dioxolane?
The IUPAC name of 2-(4-methylsulfanylphenyl)-1,3-dioxolane (CID 55256041) is 2-(4-methylsulfanylphenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(4-methylsulfanylphenyl)-1,3-dioxolane?
The canonical SMILES for 2-(4-methylsulfanylphenyl)-1,3-dioxolane is CSc1ccc(C2OCCO2)cc1.
What is the InChIKey of 2-(4-methylsulfanylphenyl)-1,3-dioxolane?
The InChIKey is ZFCSJVQDLZBJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2S/c1-13-9-4-2-8(3-5-9)10-11-6-7-12-10/h2-5,10H,6-7H2,1H3.
What are the key properties of 2-(4-methylsulfanylphenyl)-1,3-dioxolane?
2-(4-methylsulfanylphenyl)-1,3-dioxolane has a molecular weight of 196.27 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylphenyl)-1,3-dioxolane is sourced from PubChem (CID 55256041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).