2-(2-hydroxyethylsulfinylsulfanyl)ethanol

C4H10O3S2 — CID 15642524

IUPAC2-(2-hydroxyethylsulfinylsulfanyl)ethanol
SMILESO=S(CCO)SCCO
InChIInChI=1S/C4H10O3S2/c5-1-3-8-9(7)4-2-6/h5-6H,1-4H2
InChIKeyOMAXTNZZJOQQEK-UHFFFAOYSA-N
MW170.25 g/mol
LogP-0.63
Rot. Bonds5

About 2-(2-hydroxyethylsulfinylsulfanyl)ethanol

2-(2-hydroxyethylsulfinylsulfanyl)ethanol (PubChem CID 15642524) has the molecular formula C4H10O3S2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-(2-hydroxyethylsulfinylsulfanyl)ethanol.

Molecular Properties

Compound Name2-(2-hydroxyethylsulfinylsulfanyl)ethanol
PubChem CID15642524
Molecular FormulaC4H10O3S2
Molecular Weight170.25 g/mol
Exact Mass170.01
IUPAC Name2-(2-hydroxyethylsulfinylsulfanyl)ethanol
SMILESO=S(CCO)SCCO
InChIInChI=1S/C4H10O3S2/c5-1-3-8-9(7)4-2-6/h5-6H,1-4H2
InChIKeyOMAXTNZZJOQQEK-UHFFFAOYSA-N
XLogP-0.63
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylsulfinylsulfanyl)ethanol?
The IUPAC name of 2-(2-hydroxyethylsulfinylsulfanyl)ethanol (CID 15642524) is 2-(2-hydroxyethylsulfinylsulfanyl)ethanol.
What is the SMILES notation for 2-(2-hydroxyethylsulfinylsulfanyl)ethanol?
The canonical SMILES for 2-(2-hydroxyethylsulfinylsulfanyl)ethanol is O=S(CCO)SCCO.
What is the InChIKey of 2-(2-hydroxyethylsulfinylsulfanyl)ethanol?
The InChIKey is OMAXTNZZJOQQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3S2/c5-1-3-8-9(7)4-2-6/h5-6H,1-4H2.
What are the key properties of 2-(2-hydroxyethylsulfinylsulfanyl)ethanol?
2-(2-hydroxyethylsulfinylsulfanyl)ethanol has a molecular weight of 170.25 g/mol, XLogP of -0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylsulfinylsulfanyl)ethanol is sourced from PubChem (CID 15642524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).