1-(2-ethoxyethoxy)-4-methylsulfanylbenzene

C11H16O2S — CID 57317041

IUPAC1-(2-ethoxyethoxy)-4-methylsulfanylbenzene
SMILESCCOCCOc1ccc(SC)cc1
InChIInChI=1S/C11H16O2S/c1-3-12-8-9-13-10-4-6-11(14-2)7-5-10/h4-7H,3,8-9H2,1-2H3
InChIKeyHLZITSYBJSCMCR-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.82
Rot. Bonds6

About 1-(2-ethoxyethoxy)-4-methylsulfanylbenzene

1-(2-ethoxyethoxy)-4-methylsulfanylbenzene (PubChem CID 57317041) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is 1-(2-ethoxyethoxy)-4-methylsulfanylbenzene.

Molecular Properties

Compound Name1-(2-ethoxyethoxy)-4-methylsulfanylbenzene
PubChem CID57317041
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name1-(2-ethoxyethoxy)-4-methylsulfanylbenzene
SMILESCCOCCOc1ccc(SC)cc1
InChIInChI=1S/C11H16O2S/c1-3-12-8-9-13-10-4-6-11(14-2)7-5-10/h4-7H,3,8-9H2,1-2H3
InChIKeyHLZITSYBJSCMCR-UHFFFAOYSA-N
XLogP2.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methylsulfanyl-4-[2-(4-methylsulfanylphenoxy)ethoxy]benzene
CID 70368066
1-[2-(2-chloroethoxy)ethoxy]-4-methylsulfanylbenzene
CID 63665656
4-[2-(4-methylsulfanylphenoxy)ethoxy]aniline
CID 63648995
4-(2-ethoxyethoxy)aniline
CID 16641299
1-(2-ethoxyethoxy)-4-[(E)-2-[4-(2-ethoxyethoxy)phenyl]ethenyl]benzene
CID 134394196
1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene
CID 70366041
2-[4-(2-ethoxyethoxy)phenyl]sulfanylaniline
CID 139913832
5-(4-methylsulfanylphenoxy)pentan-1-amine
CID 63649657
4-(2-ethoxyethoxy)-N-ethylaniline
CID 54801151
1-(6-bromohexoxy)-4-methylsulfanylbenzene
CID 18921861
6-(4-methylsulfanylphenoxy)hexan-1-ol
CID 103867882
3-(4-methylsulfanylphenoxy)propanal
CID 63648707

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethoxy)-4-methylsulfanylbenzene?
The IUPAC name of 1-(2-ethoxyethoxy)-4-methylsulfanylbenzene (CID 57317041) is 1-(2-ethoxyethoxy)-4-methylsulfanylbenzene.
What is the SMILES notation for 1-(2-ethoxyethoxy)-4-methylsulfanylbenzene?
The canonical SMILES for 1-(2-ethoxyethoxy)-4-methylsulfanylbenzene is CCOCCOc1ccc(SC)cc1.
What is the InChIKey of 1-(2-ethoxyethoxy)-4-methylsulfanylbenzene?
The InChIKey is HLZITSYBJSCMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-3-12-8-9-13-10-4-6-11(14-2)7-5-10/h4-7H,3,8-9H2,1-2H3.
What are the key properties of 1-(2-ethoxyethoxy)-4-methylsulfanylbenzene?
1-(2-ethoxyethoxy)-4-methylsulfanylbenzene has a molecular weight of 212.31 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethoxy)-4-methylsulfanylbenzene is sourced from PubChem (CID 57317041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).