2-(2-ethoxyethylsulfanyl)ethoxybenzene

C12H18O2S — CID 112777213

IUPAC2-(2-ethoxyethylsulfanyl)ethoxybenzene
SMILESCCOCCSCCOc1ccccc1
InChIInChI=1S/C12H18O2S/c1-2-13-8-10-15-11-9-14-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
InChIKeyLVDMSLWGFMWPID-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.84
Rot. Bonds8

About 2-(2-ethoxyethylsulfanyl)ethoxybenzene

2-(2-ethoxyethylsulfanyl)ethoxybenzene (PubChem CID 112777213) has the molecular formula C12H18O2S and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-(2-ethoxyethylsulfanyl)ethoxybenzene.

Molecular Properties

Compound Name2-(2-ethoxyethylsulfanyl)ethoxybenzene
PubChem CID112777213
Molecular FormulaC12H18O2S
Molecular Weight226.34 g/mol
Exact Mass226.10
IUPAC Name2-(2-ethoxyethylsulfanyl)ethoxybenzene
SMILESCCOCCSCCOc1ccccc1
InChIInChI=1S/C12H18O2S/c1-2-13-8-10-15-11-9-14-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
InChIKeyLVDMSLWGFMWPID-UHFFFAOYSA-N
XLogP2.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-ethoxyethylsulfanyl)ethoxybenzene 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

3-(2-ethoxyethylsulfanyl)propanoic acid;3-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]propanoic acid;zinc
CID 156674376
ethoxybenzene;ethoxyethane
CID 67764259
ethane;2-methylsulfanylethoxybenzene
CID 54419236
2-(2-methylprop-2-enylsulfanyl)ethoxybenzene
CID 112777198
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]ethanamine
CID 28918450
ethoxybenzene;propoxybenzene
CID 67747691
1-ethoxy-2-[2-[2-[2-(2-ethoxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethane
CID 5171446
azane;propoxybenzene
CID 66667480
CID 161224902
CID 161224902
N-methyl-2-(2-phenoxyethylsulfanyl)-N-phenylacetamide
CID 84603233
propoxybenzene;sulfur dioxide
CID 174403655
ethoxybenzene chloride
CID 21193593

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethylsulfanyl)ethoxybenzene?
The IUPAC name of 2-(2-ethoxyethylsulfanyl)ethoxybenzene (CID 112777213) is 2-(2-ethoxyethylsulfanyl)ethoxybenzene.
What is the SMILES notation for 2-(2-ethoxyethylsulfanyl)ethoxybenzene?
The canonical SMILES for 2-(2-ethoxyethylsulfanyl)ethoxybenzene is CCOCCSCCOc1ccccc1.
What is the InChIKey of 2-(2-ethoxyethylsulfanyl)ethoxybenzene?
The InChIKey is LVDMSLWGFMWPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2S/c1-2-13-8-10-15-11-9-14-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3.
What are the key properties of 2-(2-ethoxyethylsulfanyl)ethoxybenzene?
2-(2-ethoxyethylsulfanyl)ethoxybenzene has a molecular weight of 226.34 g/mol, XLogP of 2.84, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethylsulfanyl)ethoxybenzene is sourced from PubChem (CID 112777213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).