2-(2-methylsulfanylpropyl)-1,3-dioxolane

C7H14O2S — CID 55255657

IUPAC2-(2-methylsulfanylpropyl)-1,3-dioxolane
SMILESCSC(C)CC1OCCO1
InChIInChI=1S/C7H14O2S/c1-6(10-2)5-7-8-3-4-9-7/h6-7H,3-5H2,1-2H3
InChIKeySEIPJRYNAHNQEQ-UHFFFAOYSA-N
MW162.25 g/mol
LogP1.50
Rot. Bonds3

About 2-(2-methylsulfanylpropyl)-1,3-dioxolane

2-(2-methylsulfanylpropyl)-1,3-dioxolane (PubChem CID 55255657) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is 2-(2-methylsulfanylpropyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2-methylsulfanylpropyl)-1,3-dioxolane
PubChem CID55255657
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Name2-(2-methylsulfanylpropyl)-1,3-dioxolane
SMILESCSC(C)CC1OCCO1
InChIInChI=1S/C7H14O2S/c1-6(10-2)5-7-8-3-4-9-7/h6-7H,3-5H2,1-2H3
InChIKeySEIPJRYNAHNQEQ-UHFFFAOYSA-N
XLogP1.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylpropyl)-1,3-dioxolane?
The IUPAC name of 2-(2-methylsulfanylpropyl)-1,3-dioxolane (CID 55255657) is 2-(2-methylsulfanylpropyl)-1,3-dioxolane.
What is the SMILES notation for 2-(2-methylsulfanylpropyl)-1,3-dioxolane?
The canonical SMILES for 2-(2-methylsulfanylpropyl)-1,3-dioxolane is CSC(C)CC1OCCO1.
What is the InChIKey of 2-(2-methylsulfanylpropyl)-1,3-dioxolane?
The InChIKey is SEIPJRYNAHNQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2S/c1-6(10-2)5-7-8-3-4-9-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-(2-methylsulfanylpropyl)-1,3-dioxolane?
2-(2-methylsulfanylpropyl)-1,3-dioxolane has a molecular weight of 162.25 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylpropyl)-1,3-dioxolane is sourced from PubChem (CID 55255657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).