2-(2-ethoxyethylsulfanyl)propan-1-ol

C7H16O2S — CID 115659436

IUPAC2-(2-ethoxyethylsulfanyl)propan-1-ol
SMILESCCOCCSC(C)CO
InChIInChI=1S/C7H16O2S/c1-3-9-4-5-10-7(2)6-8/h7-8H,3-6H2,1-2H3
InChIKeyZMJACWHPUPJTTI-UHFFFAOYSA-N
MW164.27 g/mol
LogP1.14
Rot. Bonds6

About 2-(2-ethoxyethylsulfanyl)propan-1-ol

2-(2-ethoxyethylsulfanyl)propan-1-ol (PubChem CID 115659436) has the molecular formula C7H16O2S and a molecular weight of 164.27 g/mol. Its IUPAC name is 2-(2-ethoxyethylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name2-(2-ethoxyethylsulfanyl)propan-1-ol
PubChem CID115659436
Molecular FormulaC7H16O2S
Molecular Weight164.27 g/mol
Exact Mass164.09
IUPAC Name2-(2-ethoxyethylsulfanyl)propan-1-ol
SMILESCCOCCSC(C)CO
InChIInChI=1S/C7H16O2S/c1-3-9-4-5-10-7(2)6-8/h7-8H,3-6H2,1-2H3
InChIKeyZMJACWHPUPJTTI-UHFFFAOYSA-N
XLogP1.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethylsulfanyl)propan-1-ol?
The IUPAC name of 2-(2-ethoxyethylsulfanyl)propan-1-ol (CID 115659436) is 2-(2-ethoxyethylsulfanyl)propan-1-ol.
What is the SMILES notation for 2-(2-ethoxyethylsulfanyl)propan-1-ol?
The canonical SMILES for 2-(2-ethoxyethylsulfanyl)propan-1-ol is CCOCCSC(C)CO.
What is the InChIKey of 2-(2-ethoxyethylsulfanyl)propan-1-ol?
The InChIKey is ZMJACWHPUPJTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2S/c1-3-9-4-5-10-7(2)6-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-(2-ethoxyethylsulfanyl)propan-1-ol?
2-(2-ethoxyethylsulfanyl)propan-1-ol has a molecular weight of 164.27 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethylsulfanyl)propan-1-ol is sourced from PubChem (CID 115659436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).