3,4-bis(1-methoxyethoxy)thiolane 1,1-dioxide

C10H20O6S — CID 70598976

IUPAC3,4-bis(1-methoxyethoxy)thiolane 1,1-dioxide
SMILESCOC(C)OC1CS(=O)(=O)CC1OC(C)OC
InChIInChI=1S/C10H20O6S/c1-7(13-3)15-9-5-17(11,12)6-10(9)16-8(2)14-4/h7-10H,5-6H2,1-4H3
InChIKeyMJWHDJGFTIHZMZ-UHFFFAOYSA-N
MW268.33 g/mol
LogP0.17
Rot. Bonds6

About 3,4-bis(1-methoxyethoxy)thiolane 1,1-dioxide

3,4-bis(1-methoxyethoxy)thiolane 1,1-dioxide (PubChem CID 70598976) has the molecular formula C10H20O6S and a molecular weight of 268.33 g/mol. Its IUPAC name is 3,4-bis(1-methoxyethoxy)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3,4-bis(1-methoxyethoxy)thiolane 1,1-dioxide
PubChem CID70598976
Molecular FormulaC10H20O6S
Molecular Weight268.33 g/mol
Exact Mass268.10
IUPAC Name3,4-bis(1-methoxyethoxy)thiolane 1,1-dioxide
SMILESCOC(C)OC1CS(=O)(=O)CC1OC(C)OC
InChIInChI=1S/C10H20O6S/c1-7(13-3)15-9-5-17(11,12)6-10(9)16-8(2)14-4/h7-10H,5-6H2,1-4H3
InChIKeyMJWHDJGFTIHZMZ-UHFFFAOYSA-N
XLogP0.17
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3,4-bis(1-methoxyethoxy)thiolane 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(1-methoxyethoxy)thiolane 1,1-dioxide?
The IUPAC name of 3,4-bis(1-methoxyethoxy)thiolane 1,1-dioxide (CID 70598976) is 3,4-bis(1-methoxyethoxy)thiolane 1,1-dioxide.
What is the SMILES notation for 3,4-bis(1-methoxyethoxy)thiolane 1,1-dioxide?
The canonical SMILES for 3,4-bis(1-methoxyethoxy)thiolane 1,1-dioxide is COC(C)OC1CS(=O)(=O)CC1OC(C)OC.
What is the InChIKey of 3,4-bis(1-methoxyethoxy)thiolane 1,1-dioxide?
The InChIKey is MJWHDJGFTIHZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O6S/c1-7(13-3)15-9-5-17(11,12)6-10(9)16-8(2)14-4/h7-10H,5-6H2,1-4H3.
What are the key properties of 3,4-bis(1-methoxyethoxy)thiolane 1,1-dioxide?
3,4-bis(1-methoxyethoxy)thiolane 1,1-dioxide has a molecular weight of 268.33 g/mol, XLogP of 0.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(1-methoxyethoxy)thiolane 1,1-dioxide is sourced from PubChem (CID 70598976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).