3-methoxy-4-[(4-methoxythiolan-3-yl)disulfanyl]thiolane

C10H18O2S4 — CID 20587253

IUPAC3-methoxy-4-[(4-methoxythiolan-3-yl)disulfanyl]thiolane
SMILESCOC1CSCC1SSC1CSCC1OC
InChIInChI=1S/C10H18O2S4/c1-11-7-3-13-5-9(7)15-16-10-6-14-4-8(10)12-2/h7-10H,3-6H2,1-2H3
InChIKeyNHWKROZZDSSQOD-UHFFFAOYSA-N
MW298.52 g/mol
LogP2.63
Rot. Bonds5

About 3-methoxy-4-[(4-methoxythiolan-3-yl)disulfanyl]thiolane

3-methoxy-4-[(4-methoxythiolan-3-yl)disulfanyl]thiolane (PubChem CID 20587253) has the molecular formula C10H18O2S4 and a molecular weight of 298.52 g/mol. Its IUPAC name is 3-methoxy-4-[(4-methoxythiolan-3-yl)disulfanyl]thiolane.

Molecular Properties

Compound Name3-methoxy-4-[(4-methoxythiolan-3-yl)disulfanyl]thiolane
PubChem CID20587253
Molecular FormulaC10H18O2S4
Molecular Weight298.52 g/mol
Exact Mass298.02
IUPAC Name3-methoxy-4-[(4-methoxythiolan-3-yl)disulfanyl]thiolane
SMILESCOC1CSCC1SSC1CSCC1OC
InChIInChI=1S/C10H18O2S4/c1-11-7-3-13-5-9(7)15-16-10-6-14-4-8(10)12-2/h7-10H,3-6H2,1-2H3
InChIKeyNHWKROZZDSSQOD-UHFFFAOYSA-N
XLogP2.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.52
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-methoxy-4-[(4-methoxythiolan-3-yl)disulfanyl]thiolane 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-methoxy-4-[(4-methoxythiolan-3-yl)disulfanyl]thiolane?
The IUPAC name of 3-methoxy-4-[(4-methoxythiolan-3-yl)disulfanyl]thiolane (CID 20587253) is 3-methoxy-4-[(4-methoxythiolan-3-yl)disulfanyl]thiolane.
What is the SMILES notation for 3-methoxy-4-[(4-methoxythiolan-3-yl)disulfanyl]thiolane?
The canonical SMILES for 3-methoxy-4-[(4-methoxythiolan-3-yl)disulfanyl]thiolane is COC1CSCC1SSC1CSCC1OC.
What is the InChIKey of 3-methoxy-4-[(4-methoxythiolan-3-yl)disulfanyl]thiolane?
The InChIKey is NHWKROZZDSSQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S4/c1-11-7-3-13-5-9(7)15-16-10-6-14-4-8(10)12-2/h7-10H,3-6H2,1-2H3.
What are the key properties of 3-methoxy-4-[(4-methoxythiolan-3-yl)disulfanyl]thiolane?
3-methoxy-4-[(4-methoxythiolan-3-yl)disulfanyl]thiolane has a molecular weight of 298.52 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(4-methoxythiolan-3-yl)disulfanyl]thiolane is sourced from PubChem (CID 20587253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).