2-(2-methylsulfanylethyl)-1,3-dioxolan-4-ol

C6H12O3S — CID 19861962

IUPAC2-(2-methylsulfanylethyl)-1,3-dioxolan-4-ol
SMILESCSCCC1OCC(O)O1
InChIInChI=1S/C6H12O3S/c1-10-3-2-6-8-4-5(7)9-6/h5-7H,2-4H2,1H3
InChIKeyJKMYTXLEDSWISS-UHFFFAOYSA-N
MW164.23 g/mol
LogP0.43
Rot. Bonds3

About 2-(2-methylsulfanylethyl)-1,3-dioxolan-4-ol

2-(2-methylsulfanylethyl)-1,3-dioxolan-4-ol (PubChem CID 19861962) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is 2-(2-methylsulfanylethyl)-1,3-dioxolan-4-ol.

Molecular Properties

Compound Name2-(2-methylsulfanylethyl)-1,3-dioxolan-4-ol
PubChem CID19861962
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name2-(2-methylsulfanylethyl)-1,3-dioxolan-4-ol
SMILESCSCCC1OCC(O)O1
InChIInChI=1S/C6H12O3S/c1-10-3-2-6-8-4-5(7)9-6/h5-7H,2-4H2,1H3
InChIKeyJKMYTXLEDSWISS-UHFFFAOYSA-N
XLogP0.43
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylethyl)-1,3-dioxolan-4-ol?
The IUPAC name of 2-(2-methylsulfanylethyl)-1,3-dioxolan-4-ol (CID 19861962) is 2-(2-methylsulfanylethyl)-1,3-dioxolan-4-ol.
What is the SMILES notation for 2-(2-methylsulfanylethyl)-1,3-dioxolan-4-ol?
The canonical SMILES for 2-(2-methylsulfanylethyl)-1,3-dioxolan-4-ol is CSCCC1OCC(O)O1.
What is the InChIKey of 2-(2-methylsulfanylethyl)-1,3-dioxolan-4-ol?
The InChIKey is JKMYTXLEDSWISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3S/c1-10-3-2-6-8-4-5(7)9-6/h5-7H,2-4H2,1H3.
What are the key properties of 2-(2-methylsulfanylethyl)-1,3-dioxolan-4-ol?
2-(2-methylsulfanylethyl)-1,3-dioxolan-4-ol has a molecular weight of 164.23 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylethyl)-1,3-dioxolan-4-ol is sourced from PubChem (CID 19861962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).