2,6-bis(thiiran-2-ylmethoxy)thiane

C11H18O2S3 — CID 87707452

IUPAC2,6-bis(thiiran-2-ylmethoxy)thiane
SMILESC1CC(OCC2CS2)SC(OCC2CS2)C1
InChIInChI=1S/C11H18O2S3/c1-2-10(12-4-8-6-14-8)16-11(3-1)13-5-9-7-15-9/h8-11H,1-7H2
InChIKeyJUQVECYITPVUOA-UHFFFAOYSA-N
MW278.46 g/mol
LogP2.82
Rot. Bonds6

About 2,6-bis(thiiran-2-ylmethoxy)thiane

2,6-bis(thiiran-2-ylmethoxy)thiane (PubChem CID 87707452) has the molecular formula C11H18O2S3 and a molecular weight of 278.46 g/mol. Its IUPAC name is 2,6-bis(thiiran-2-ylmethoxy)thiane.

Molecular Properties

Compound Name2,6-bis(thiiran-2-ylmethoxy)thiane
PubChem CID87707452
Molecular FormulaC11H18O2S3
Molecular Weight278.46 g/mol
Exact Mass278.05
IUPAC Name2,6-bis(thiiran-2-ylmethoxy)thiane
SMILESC1CC(OCC2CS2)SC(OCC2CS2)C1
InChIInChI=1S/C11H18O2S3/c1-2-10(12-4-8-6-14-8)16-11(3-1)13-5-9-7-15-9/h8-11H,1-7H2
InChIKeyJUQVECYITPVUOA-UHFFFAOYSA-N
XLogP2.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2,6-bis(thiiran-2-ylmethoxy)thiane 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 2,6-bis(thiiran-2-ylmethoxy)thiane?
The IUPAC name of 2,6-bis(thiiran-2-ylmethoxy)thiane (CID 87707452) is 2,6-bis(thiiran-2-ylmethoxy)thiane.
What is the SMILES notation for 2,6-bis(thiiran-2-ylmethoxy)thiane?
The canonical SMILES for 2,6-bis(thiiran-2-ylmethoxy)thiane is C1CC(OCC2CS2)SC(OCC2CS2)C1.
What is the InChIKey of 2,6-bis(thiiran-2-ylmethoxy)thiane?
The InChIKey is JUQVECYITPVUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2S3/c1-2-10(12-4-8-6-14-8)16-11(3-1)13-5-9-7-15-9/h8-11H,1-7H2.
What are the key properties of 2,6-bis(thiiran-2-ylmethoxy)thiane?
2,6-bis(thiiran-2-ylmethoxy)thiane has a molecular weight of 278.46 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(thiiran-2-ylmethoxy)thiane is sourced from PubChem (CID 87707452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).