2-ethoxy-3-[(3-methylthiiran-2-yl)methyl]oxirane

C8H14O2S — CID 123854628

IUPAC2-ethoxy-3-[(3-methylthiiran-2-yl)methyl]oxirane
SMILESCCOC1OC1CC1SC1C
InChIInChI=1S/C8H14O2S/c1-3-9-8-6(10-8)4-7-5(2)11-7/h5-8H,3-4H2,1-2H3
InChIKeyQEOXFUJWKPTTGQ-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.64
Rot. Bonds4

About 2-ethoxy-3-[(3-methylthiiran-2-yl)methyl]oxirane

2-ethoxy-3-[(3-methylthiiran-2-yl)methyl]oxirane (PubChem CID 123854628) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is 2-ethoxy-3-[(3-methylthiiran-2-yl)methyl]oxirane.

Molecular Properties

Compound Name2-ethoxy-3-[(3-methylthiiran-2-yl)methyl]oxirane
PubChem CID123854628
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name2-ethoxy-3-[(3-methylthiiran-2-yl)methyl]oxirane
SMILESCCOC1OC1CC1SC1C
InChIInChI=1S/C8H14O2S/c1-3-9-8-6(10-8)4-7-5(2)11-7/h5-8H,3-4H2,1-2H3
InChIKeyQEOXFUJWKPTTGQ-UHFFFAOYSA-N
XLogP1.64
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethoxy-3-[(3-methylthiiran-2-yl)methyl]oxirane with MolForge

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

Launch Full Analysis

Related Compounds

(2R,3S)-2,3-diethoxyoxirane
CID 10701862
(2S,5S)-2-ethoxy-6-ethyloxane-3,4,5-triol
CID 167273619
(2R,3R,4R,5R)-2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 14353032
2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 548249
(2R,5R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 121419897
(3R,5R,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 167273002
(2S,3S,4S,5S,6S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91694274
(2R,3R,4R,5S,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 67410978
(4S,5R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 160607316
(2R,3S,5S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 121297517
actinium;(2S,4S,5S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 59059867
3,4-diethoxydioxetane
CID 59986645

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-[(3-methylthiiran-2-yl)methyl]oxirane?
The IUPAC name of 2-ethoxy-3-[(3-methylthiiran-2-yl)methyl]oxirane (CID 123854628) is 2-ethoxy-3-[(3-methylthiiran-2-yl)methyl]oxirane.
What is the SMILES notation for 2-ethoxy-3-[(3-methylthiiran-2-yl)methyl]oxirane?
The canonical SMILES for 2-ethoxy-3-[(3-methylthiiran-2-yl)methyl]oxirane is CCOC1OC1CC1SC1C.
What is the InChIKey of 2-ethoxy-3-[(3-methylthiiran-2-yl)methyl]oxirane?
The InChIKey is QEOXFUJWKPTTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S/c1-3-9-8-6(10-8)4-7-5(2)11-7/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-ethoxy-3-[(3-methylthiiran-2-yl)methyl]oxirane?
2-ethoxy-3-[(3-methylthiiran-2-yl)methyl]oxirane has a molecular weight of 174.26 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-[(3-methylthiiran-2-yl)methyl]oxirane is sourced from PubChem (CID 123854628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).