1-[1-(1-hydroxyethylsulfanyl)ethoxy]ethanol

C6H14O3S — CID 19862826

IUPAC1-[1-(1-hydroxyethylsulfanyl)ethoxy]ethanol
SMILESCC(O)OC(C)SC(C)O
InChIInChI=1S/C6H14O3S/c1-4(7)9-6(3)10-5(2)8/h4-8H,1-3H3
InChIKeyQVLZLZFTOJCBOX-UHFFFAOYSA-N
MW166.24 g/mol
LogP0.76
Rot. Bonds4

About 1-[1-(1-hydroxyethylsulfanyl)ethoxy]ethanol

1-[1-(1-hydroxyethylsulfanyl)ethoxy]ethanol (PubChem CID 19862826) has the molecular formula C6H14O3S and a molecular weight of 166.24 g/mol. Its IUPAC name is 1-[1-(1-hydroxyethylsulfanyl)ethoxy]ethanol.

Molecular Properties

Compound Name1-[1-(1-hydroxyethylsulfanyl)ethoxy]ethanol
PubChem CID19862826
Molecular FormulaC6H14O3S
Molecular Weight166.24 g/mol
Exact Mass166.07
IUPAC Name1-[1-(1-hydroxyethylsulfanyl)ethoxy]ethanol
SMILESCC(O)OC(C)SC(C)O
InChIInChI=1S/C6H14O3S/c1-4(7)9-6(3)10-5(2)8/h4-8H,1-3H3
InChIKeyQVLZLZFTOJCBOX-UHFFFAOYSA-N
XLogP0.76
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2-Sulfanylethoxy)ethan-1-ol
CID 53442687
3-Hydroxy-1,4-thioxane
CID 12690092
2-Hydroxy-3-methyl-1,4-oxathiane
CID 58183535
cis-1,4-Oxathiane-2,6-diol
CID 12690093
2,2-Mercaptoethoxyethoxyethanol
CID 129831850
3,3-Dimethyl-1,4-oxathian-2-ol
CID 15305315
2-Ethyl-1,3-oxathiolan-5-ol
CID 20744753
Actinium;2-ethyl-1,3-oxathiolan-5-ol
CID 20744758
2-Methyl-1,3-oxathiolan-5-ol
CID 20744765
1-(1-Ethylsulfanylethoxy)ethanol
CID 22420348
1-(2-Tert-butylsulfanylethoxy)ethanol
CID 22420352
1-(2-Ethylsulfanylethoxy)ethanol
CID 22420357

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-hydroxyethylsulfanyl)ethoxy]ethanol?
The IUPAC name of 1-[1-(1-hydroxyethylsulfanyl)ethoxy]ethanol (CID 19862826) is 1-[1-(1-hydroxyethylsulfanyl)ethoxy]ethanol.
What is the SMILES notation for 1-[1-(1-hydroxyethylsulfanyl)ethoxy]ethanol?
The canonical SMILES for 1-[1-(1-hydroxyethylsulfanyl)ethoxy]ethanol is CC(O)OC(C)SC(C)O.
What is the InChIKey of 1-[1-(1-hydroxyethylsulfanyl)ethoxy]ethanol?
The InChIKey is QVLZLZFTOJCBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3S/c1-4(7)9-6(3)10-5(2)8/h4-8H,1-3H3.
What are the key properties of 1-[1-(1-hydroxyethylsulfanyl)ethoxy]ethanol?
1-[1-(1-hydroxyethylsulfanyl)ethoxy]ethanol has a molecular weight of 166.24 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-hydroxyethylsulfanyl)ethoxy]ethanol is sourced from PubChem (CID 19862826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).