[ethoxy(ethylsulfanyl)methyl]benzene

C11H16OS — CID 15744334

IUPAC[ethoxy(ethylsulfanyl)methyl]benzene
SMILESCCOC(SCC)c1ccccc1
InChIInChI=1S/C11H16OS/c1-3-12-11(13-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
InChIKeyBLXFLVBYYQOTGS-UHFFFAOYSA-N
MW196.31 g/mol
LogP3.47
Rot. Bonds5

About [ethoxy(ethylsulfanyl)methyl]benzene

[ethoxy(ethylsulfanyl)methyl]benzene (PubChem CID 15744334) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is [ethoxy(ethylsulfanyl)methyl]benzene.

Molecular Properties

Compound Name[ethoxy(ethylsulfanyl)methyl]benzene
PubChem CID15744334
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name[ethoxy(ethylsulfanyl)methyl]benzene
SMILESCCOC(SCC)c1ccccc1
InChIInChI=1S/C11H16OS/c1-3-12-11(13-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
InChIKeyBLXFLVBYYQOTGS-UHFFFAOYSA-N
XLogP3.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [ethoxy(ethylsulfanyl)methyl]benzene?
The IUPAC name of [ethoxy(ethylsulfanyl)methyl]benzene (CID 15744334) is [ethoxy(ethylsulfanyl)methyl]benzene.
What is the SMILES notation for [ethoxy(ethylsulfanyl)methyl]benzene?
The canonical SMILES for [ethoxy(ethylsulfanyl)methyl]benzene is CCOC(SCC)c1ccccc1.
What is the InChIKey of [ethoxy(ethylsulfanyl)methyl]benzene?
The InChIKey is BLXFLVBYYQOTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-3-12-11(13-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3.
What are the key properties of [ethoxy(ethylsulfanyl)methyl]benzene?
[ethoxy(ethylsulfanyl)methyl]benzene has a molecular weight of 196.31 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(ethylsulfanyl)methyl]benzene is sourced from PubChem (CID 15744334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).