4,4-bis(methoxymethyl)dithiolane

C7H14O2S2 — CID 22974111

IUPAC4,4-bis(methoxymethyl)dithiolane
SMILESCOCC1(COC)CSSC1
InChIInChI=1S/C7H14O2S2/c1-8-3-7(4-9-2)5-10-11-6-7/h3-6H2,1-2H3
InChIKeyIDJNXKQDIKUDLX-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.66
Rot. Bonds4

About 4,4-bis(methoxymethyl)dithiolane

4,4-bis(methoxymethyl)dithiolane (PubChem CID 22974111) has the molecular formula C7H14O2S2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 4,4-bis(methoxymethyl)dithiolane.

Molecular Properties

Compound Name4,4-bis(methoxymethyl)dithiolane
PubChem CID22974111
Molecular FormulaC7H14O2S2
Molecular Weight194.32 g/mol
Exact Mass194.04
IUPAC Name4,4-bis(methoxymethyl)dithiolane
SMILESCOCC1(COC)CSSC1
InChIInChI=1S/C7H14O2S2/c1-8-3-7(4-9-2)5-10-11-6-7/h3-6H2,1-2H3
InChIKeyIDJNXKQDIKUDLX-UHFFFAOYSA-N
XLogP1.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-bis(methoxymethyl)dithiolane?
The IUPAC name of 4,4-bis(methoxymethyl)dithiolane (CID 22974111) is 4,4-bis(methoxymethyl)dithiolane.
What is the SMILES notation for 4,4-bis(methoxymethyl)dithiolane?
The canonical SMILES for 4,4-bis(methoxymethyl)dithiolane is COCC1(COC)CSSC1.
What is the InChIKey of 4,4-bis(methoxymethyl)dithiolane?
The InChIKey is IDJNXKQDIKUDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2S2/c1-8-3-7(4-9-2)5-10-11-6-7/h3-6H2,1-2H3.
What are the key properties of 4,4-bis(methoxymethyl)dithiolane?
4,4-bis(methoxymethyl)dithiolane has a molecular weight of 194.32 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(methoxymethyl)dithiolane is sourced from PubChem (CID 22974111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).