2-[2-(3-methylphenyl)sulfanylethoxy]ethanol

C11H16O2S — CID 61244346

IUPAC2-[2-(3-methylphenyl)sulfanylethoxy]ethanol
SMILESCc1cccc(SCCOCCO)c1
InChIInChI=1S/C11H16O2S/c1-10-3-2-4-11(9-10)14-8-7-13-6-5-12/h2-4,9,12H,5-8H2,1H3
InChIKeyJTOUJEMMRHRFSX-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.10
Rot. Bonds6

About 2-[2-(3-methylphenyl)sulfanylethoxy]ethanol

2-[2-(3-methylphenyl)sulfanylethoxy]ethanol (PubChem CID 61244346) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is 2-[2-(3-methylphenyl)sulfanylethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(3-methylphenyl)sulfanylethoxy]ethanol
PubChem CID61244346
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name2-[2-(3-methylphenyl)sulfanylethoxy]ethanol
SMILESCc1cccc(SCCOCCO)c1
InChIInChI=1S/C11H16O2S/c1-10-3-2-4-11(9-10)14-8-7-13-6-5-12/h2-4,9,12H,5-8H2,1H3
InChIKeyJTOUJEMMRHRFSX-UHFFFAOYSA-N
XLogP2.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-(2-phenylsulfanylethylsulfanyl)benzene
CID 79327094
2-(2-hydroxyethoxy)ethanol;toluene
CID 157148794
2-amino-4-(3-methylphenyl)sulfanylbutan-1-ol
CID 64819222
1-(3,3-dimethoxypropylsulfanyl)-3-methylbenzene
CID 165440790
2-[2-(3-methylphenyl)sulfanylethoxy]aniline
CID 61243430
2-[2-(4-tert-butylphenyl)sulfanylethoxy]ethanol
CID 61076775
2-amino-2-methyl-5-(3-methylphenyl)sulfanylpentan-1-ol
CID 64806442
2-(methylamino)-4-(3-methylphenyl)sulfanylbutan-1-ol
CID 64806432
2-(ethylamino)-4-(3-methylphenyl)sulfanylbutan-1-ol
CID 64808532
1-(3-methylphenyl)sulfanyl-3-propoxypropan-2-ol
CID 79566648
9-(3-methylphenyl)sulfanylnonane-1-thiol
CID 105344760
1-(5-chloropentylsulfanyl)-3-methylbenzene
CID 63498946

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylphenyl)sulfanylethoxy]ethanol?
The IUPAC name of 2-[2-(3-methylphenyl)sulfanylethoxy]ethanol (CID 61244346) is 2-[2-(3-methylphenyl)sulfanylethoxy]ethanol.
What is the SMILES notation for 2-[2-(3-methylphenyl)sulfanylethoxy]ethanol?
The canonical SMILES for 2-[2-(3-methylphenyl)sulfanylethoxy]ethanol is Cc1cccc(SCCOCCO)c1.
What is the InChIKey of 2-[2-(3-methylphenyl)sulfanylethoxy]ethanol?
The InChIKey is JTOUJEMMRHRFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-10-3-2-4-11(9-10)14-8-7-13-6-5-12/h2-4,9,12H,5-8H2,1H3.
What are the key properties of 2-[2-(3-methylphenyl)sulfanylethoxy]ethanol?
2-[2-(3-methylphenyl)sulfanylethoxy]ethanol has a molecular weight of 212.31 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylphenyl)sulfanylethoxy]ethanol is sourced from PubChem (CID 61244346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).