methoxysulfanyloxyethane

C3H8O2S — CID 89125307

IUPACmethoxysulfanyloxyethane
SMILESCCOSOC
InChIInChI=1S/C3H8O2S/c1-3-5-6-4-2/h3H2,1-2H3
InChIKeyLQZWITNNSHOURR-UHFFFAOYSA-N
MW108.16 g/mol
LogP1.23
Rot. Bonds3

About methoxysulfanyloxyethane

methoxysulfanyloxyethane (PubChem CID 89125307) has the molecular formula C3H8O2S and a molecular weight of 108.16 g/mol. Its IUPAC name is methoxysulfanyloxyethane.

Molecular Properties

Compound Namemethoxysulfanyloxyethane
PubChem CID89125307
Molecular FormulaC3H8O2S
Molecular Weight108.16 g/mol
Exact Mass108.02
IUPAC Namemethoxysulfanyloxyethane
SMILESCCOSOC
InChIInChI=1S/C3H8O2S/c1-3-5-6-4-2/h3H2,1-2H3
InChIKeyLQZWITNNSHOURR-UHFFFAOYSA-N
XLogP1.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.16
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methoxysulfanyloxyethane 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 methoxysulfanyloxyethane?
The IUPAC name of methoxysulfanyloxyethane (CID 89125307) is methoxysulfanyloxyethane.
What is the SMILES notation for methoxysulfanyloxyethane?
The canonical SMILES for methoxysulfanyloxyethane is CCOSOC.
What is the InChIKey of methoxysulfanyloxyethane?
The InChIKey is LQZWITNNSHOURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2S/c1-3-5-6-4-2/h3H2,1-2H3.
What are the key properties of methoxysulfanyloxyethane?
methoxysulfanyloxyethane has a molecular weight of 108.16 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxysulfanyloxyethane is sourced from PubChem (CID 89125307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).