3,4-bis(2-methoxyethoxy)thiolane

C10H20O4S — CID 23340232

IUPAC3,4-bis(2-methoxyethoxy)thiolane
SMILESCOCCOC1CSCC1OCCOC
InChIInChI=1S/C10H20O4S/c1-11-3-5-13-9-7-15-8-10(9)14-6-4-12-2/h9-10H,3-8H2,1-2H3
InChIKeyNMUCFXUKMWSBJS-UHFFFAOYSA-N
MW236.33 g/mol
LogP0.80
Rot. Bonds8

About 3,4-bis(2-methoxyethoxy)thiolane

3,4-bis(2-methoxyethoxy)thiolane (PubChem CID 23340232) has the molecular formula C10H20O4S and a molecular weight of 236.33 g/mol. Its IUPAC name is 3,4-bis(2-methoxyethoxy)thiolane.

Molecular Properties

Compound Name3,4-bis(2-methoxyethoxy)thiolane
PubChem CID23340232
Molecular FormulaC10H20O4S
Molecular Weight236.33 g/mol
Exact Mass236.11
IUPAC Name3,4-bis(2-methoxyethoxy)thiolane
SMILESCOCCOC1CSCC1OCCOC
InChIInChI=1S/C10H20O4S/c1-11-3-5-13-9-7-15-8-10(9)14-6-4-12-2/h9-10H,3-8H2,1-2H3
InChIKeyNMUCFXUKMWSBJS-UHFFFAOYSA-N
XLogP0.80
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(2-methoxyethoxy)thiolane?
The IUPAC name of 3,4-bis(2-methoxyethoxy)thiolane (CID 23340232) is 3,4-bis(2-methoxyethoxy)thiolane.
What is the SMILES notation for 3,4-bis(2-methoxyethoxy)thiolane?
The canonical SMILES for 3,4-bis(2-methoxyethoxy)thiolane is COCCOC1CSCC1OCCOC.
What is the InChIKey of 3,4-bis(2-methoxyethoxy)thiolane?
The InChIKey is NMUCFXUKMWSBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4S/c1-11-3-5-13-9-7-15-8-10(9)14-6-4-12-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 3,4-bis(2-methoxyethoxy)thiolane?
3,4-bis(2-methoxyethoxy)thiolane has a molecular weight of 236.33 g/mol, XLogP of 0.80, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(2-methoxyethoxy)thiolane is sourced from PubChem (CID 23340232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).