1-ethylsulfanyl-4-(2-methoxyethyl)benzene

C11H16OS — CID 134320195

IUPAC1-ethylsulfanyl-4-(2-methoxyethyl)benzene
SMILESCCSc1ccc(CCOC)cc1
InChIInChI=1S/C11H16OS/c1-3-13-11-6-4-10(5-7-11)8-9-12-2/h4-7H,3,8-9H2,1-2H3
InChIKeyGUONWFYBOGDBDW-UHFFFAOYSA-N
MW196.31 g/mol
LogP2.99
Rot. Bonds5

About 1-ethylsulfanyl-4-(2-methoxyethyl)benzene

1-ethylsulfanyl-4-(2-methoxyethyl)benzene (PubChem CID 134320195) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is 1-ethylsulfanyl-4-(2-methoxyethyl)benzene.

Molecular Properties

Compound Name1-ethylsulfanyl-4-(2-methoxyethyl)benzene
PubChem CID134320195
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name1-ethylsulfanyl-4-(2-methoxyethyl)benzene
SMILESCCSc1ccc(CCOC)cc1
InChIInChI=1S/C11H16OS/c1-3-13-11-6-4-10(5-7-11)8-9-12-2/h4-7H,3,8-9H2,1-2H3
InChIKeyGUONWFYBOGDBDW-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylperoxyethyl)-4-ethylsulfanylbenzene
CID 87085267
[4-(2-methoxyethylsulfanyl)phenyl]methanol
CID 63836171
1-but-3-ynyl-4-ethylsulfanylbenzene
CID 83935869
1-(2-methoxyethyl)-4-(2-phenylsulfanylethoxy)benzene
CID 79403925
1-(4-ethylsulfanylphenyl)-N-(methoxymethyl)-N-methylmethanamine
CID 115258729
1-ethyl-4-[4-(2-methoxyethyl)phenyl]benzene
CID 71122452
1-ethylsulfanyl-4-(1-methoxypropan-2-yl)benzene
CID 166847942
(4-ethylsulfanylphenyl)methanamine
CID 12842467
2-[2-(4-ethylsulfanylphenyl)ethylamino]acetonitrile
CID 115131259
4-(4-ethylsulfanylphenyl)butan-2-one
CID 96657765
4-ethylsulfanyl-N-(methoxymethyl)-N-methylaniline
CID 115258403
4-(4-ethylsulfanylphenyl)-2-methylbutan-2-ol
CID 96659553

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-4-(2-methoxyethyl)benzene?
The IUPAC name of 1-ethylsulfanyl-4-(2-methoxyethyl)benzene (CID 134320195) is 1-ethylsulfanyl-4-(2-methoxyethyl)benzene.
What is the SMILES notation for 1-ethylsulfanyl-4-(2-methoxyethyl)benzene?
The canonical SMILES for 1-ethylsulfanyl-4-(2-methoxyethyl)benzene is CCSc1ccc(CCOC)cc1.
What is the InChIKey of 1-ethylsulfanyl-4-(2-methoxyethyl)benzene?
The InChIKey is GUONWFYBOGDBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-3-13-11-6-4-10(5-7-11)8-9-12-2/h4-7H,3,8-9H2,1-2H3.
What are the key properties of 1-ethylsulfanyl-4-(2-methoxyethyl)benzene?
1-ethylsulfanyl-4-(2-methoxyethyl)benzene has a molecular weight of 196.31 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-4-(2-methoxyethyl)benzene is sourced from PubChem (CID 134320195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).