2-(methoxymethyl)-1,3-dithiolane

C5H10OS2 — CID 86181629

IUPAC2-(methoxymethyl)-1,3-dithiolane
SMILESCOCC1SCCS1
InChIInChI=1S/C5H10OS2/c1-6-4-5-7-2-3-8-5/h5H,2-4H2,1H3
InChIKeyXMVUXKDFLIMUKA-UHFFFAOYSA-N
MW150.27 g/mol
LogP1.44
Rot. Bonds2

About 2-(methoxymethyl)-1,3-dithiolane

2-(methoxymethyl)-1,3-dithiolane (PubChem CID 86181629) has the molecular formula C5H10OS2 and a molecular weight of 150.27 g/mol. Its IUPAC name is 2-(methoxymethyl)-1,3-dithiolane.

Molecular Properties

Compound Name2-(methoxymethyl)-1,3-dithiolane
PubChem CID86181629
Molecular FormulaC5H10OS2
Molecular Weight150.27 g/mol
Exact Mass150.02
IUPAC Name2-(methoxymethyl)-1,3-dithiolane
SMILESCOCC1SCCS1
InChIInChI=1S/C5H10OS2/c1-6-4-5-7-2-3-8-5/h5H,2-4H2,1H3
InChIKeyXMVUXKDFLIMUKA-UHFFFAOYSA-N
XLogP1.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1,3-dithiolane?
The IUPAC name of 2-(methoxymethyl)-1,3-dithiolane (CID 86181629) is 2-(methoxymethyl)-1,3-dithiolane.
What is the SMILES notation for 2-(methoxymethyl)-1,3-dithiolane?
The canonical SMILES for 2-(methoxymethyl)-1,3-dithiolane is COCC1SCCS1.
What is the InChIKey of 2-(methoxymethyl)-1,3-dithiolane?
The InChIKey is XMVUXKDFLIMUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS2/c1-6-4-5-7-2-3-8-5/h5H,2-4H2,1H3.
What are the key properties of 2-(methoxymethyl)-1,3-dithiolane?
2-(methoxymethyl)-1,3-dithiolane has a molecular weight of 150.27 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1,3-dithiolane is sourced from PubChem (CID 86181629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).