2-(2-hydroxyethylsulfanyl)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane

C10H20O5S — CID 87212352

IUPAC2-(2-hydroxyethylsulfanyl)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.OCCSCCO
InChIInChI=1S/C6H10O3.C4H10O2S/c1(5-3-8-5)7-2-6-4-9-6;5-1-3-7-4-2-6/h5-6H,1-4H2;5-6H,1-4H2
InChIKeyZQRMCZOSCPVQGA-UHFFFAOYSA-N
MW252.33 g/mol
LogP-0.50
Rot. Bonds8

About 2-(2-hydroxyethylsulfanyl)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane

2-(2-hydroxyethylsulfanyl)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 87212352) has the molecular formula C10H20O5S and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-(2-hydroxyethylsulfanyl)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Name2-(2-hydroxyethylsulfanyl)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID87212352
Molecular FormulaC10H20O5S
Molecular Weight252.33 g/mol
Exact Mass252.10
IUPAC Name2-(2-hydroxyethylsulfanyl)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.OCCSCCO
InChIInChI=1S/C6H10O3.C4H10O2S/c1(5-3-8-5)7-2-6-4-9-6;5-1-3-7-4-2-6/h5-6H,1-4H2;5-6H,1-4H2
InChIKeyZQRMCZOSCPVQGA-UHFFFAOYSA-N
XLogP-0.50
TPSA74.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

cyclopentane;ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 88518341
ethane-1,2-diol;ethene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 173313374
hexane-1,6-diol;bis(2-(oxiran-2-ylmethoxymethyl)oxirane)
CID 174983499
2-(oxiran-2-ylmethoxymethyl)oxirane;propan-1-ol
CID 22222974
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
2-(oxiran-2-ylmethoxymethyl)oxirane;bis(propane-1,2,3-triol)
CID 23284067
2-(2-hydroxyethylperoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174579624
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
(Z)-but-2-ene-1,4-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87871261
ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;tetrakis(prop-1-ene)
CID 173030236
ethanol;2-(2-hydroxyethoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 135339306
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 154070356

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylsulfanyl)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of 2-(2-hydroxyethylsulfanyl)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 87212352) is 2-(2-hydroxyethylsulfanyl)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for 2-(2-hydroxyethylsulfanyl)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for 2-(2-hydroxyethylsulfanyl)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.OCCSCCO.
What is the InChIKey of 2-(2-hydroxyethylsulfanyl)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is ZQRMCZOSCPVQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C4H10O2S/c1(5-3-8-5)7-2-6-4-9-6;5-1-3-7-4-2-6/h5-6H,1-4H2;5-6H,1-4H2.
What are the key properties of 2-(2-hydroxyethylsulfanyl)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane?
2-(2-hydroxyethylsulfanyl)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 252.33 g/mol, XLogP of -0.50, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylsulfanyl)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 87212352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).