2-(2-propylsulfanylethoxy)ethanol

C7H16O2S — CID 61074993

IUPAC2-(2-propylsulfanylethoxy)ethanol
SMILESCCCSCCOCCO
InChIInChI=1S/C7H16O2S/c1-2-6-10-7-5-9-4-3-8/h8H,2-7H2,1H3
InChIKeyBORRVQXSBWIIJX-UHFFFAOYSA-N
MW164.27 g/mol
LogP1.14
Rot. Bonds7

About 2-(2-propylsulfanylethoxy)ethanol

2-(2-propylsulfanylethoxy)ethanol (PubChem CID 61074993) has the molecular formula C7H16O2S and a molecular weight of 164.27 g/mol. Its IUPAC name is 2-(2-propylsulfanylethoxy)ethanol.

Molecular Properties

Compound Name2-(2-propylsulfanylethoxy)ethanol
PubChem CID61074993
Molecular FormulaC7H16O2S
Molecular Weight164.27 g/mol
Exact Mass164.09
IUPAC Name2-(2-propylsulfanylethoxy)ethanol
SMILESCCCSCCOCCO
InChIInChI=1S/C7H16O2S/c1-2-6-10-7-5-9-4-3-8/h8H,2-7H2,1H3
InChIKeyBORRVQXSBWIIJX-UHFFFAOYSA-N
XLogP1.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 51.14
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

2-(2-butylsulfanylethoxy)ethanol
CID 3743869
2-[2-(2-heptylsulfanylethoxy)ethoxy]ethanol
CID 20788584
2-[2-(2-dodecylsulfanylethoxy)ethoxy]ethanol
CID 100932601
2-[2-(2-methylsulfonylethylsulfanyl)ethoxy]ethanol
CID 63658130
ethanol;1-propylsulfanylpropane
CID 175163753
methyl 3-[2-(2-hydroxyethoxy)ethylsulfanyl]propanoate
CID 61076958
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20613004
2-(2-hydroxyethoxy)ethanol;pentane
CID 157305945
bis(propan-1-ol);bis(2-propoxyethanol)
CID 157411921
2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]ethanol
CID 104565079
2-(2-ethoxyethoxy)ethanol;methanol
CID 87987109
2-butoxyethanol
CID 8133

Frequently Asked Questions

What is the IUPAC name of 2-(2-propylsulfanylethoxy)ethanol?
The IUPAC name of 2-(2-propylsulfanylethoxy)ethanol (CID 61074993) is 2-(2-propylsulfanylethoxy)ethanol.
What is the SMILES notation for 2-(2-propylsulfanylethoxy)ethanol?
The canonical SMILES for 2-(2-propylsulfanylethoxy)ethanol is CCCSCCOCCO.
What is the InChIKey of 2-(2-propylsulfanylethoxy)ethanol?
The InChIKey is BORRVQXSBWIIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2S/c1-2-6-10-7-5-9-4-3-8/h8H,2-7H2,1H3.
What are the key properties of 2-(2-propylsulfanylethoxy)ethanol?
2-(2-propylsulfanylethoxy)ethanol has a molecular weight of 164.27 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propylsulfanylethoxy)ethanol is sourced from PubChem (CID 61074993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).