2-(dithiolan-3-yl)ethanol

C5H10OS2 — CID 86055892

IUPAC2-(dithiolan-3-yl)ethanol
SMILESOCCC1CCSS1
InChIInChI=1S/C5H10OS2/c6-3-1-5-2-4-7-8-5/h5-6H,1-4H2
InChIKeyZEZMXUUFAYJNGV-UHFFFAOYSA-N
MW150.27 g/mol
LogP1.52
Rot. Bonds2

About 2-(dithiolan-3-yl)ethanol

2-(dithiolan-3-yl)ethanol (PubChem CID 86055892) has the molecular formula C5H10OS2 and a molecular weight of 150.27 g/mol. Its IUPAC name is 2-(dithiolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(dithiolan-3-yl)ethanol
PubChem CID86055892
Molecular FormulaC5H10OS2
Molecular Weight150.27 g/mol
Exact Mass150.02
IUPAC Name2-(dithiolan-3-yl)ethanol
SMILESOCCC1CCSS1
InChIInChI=1S/C5H10OS2/c6-3-1-5-2-4-7-8-5/h5-6H,1-4H2
InChIKeyZEZMXUUFAYJNGV-UHFFFAOYSA-N
XLogP1.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Mercapto-1-pentanol
CID 534259
4,5-Dimercapto-1-pentanol
CID 11564506
4-(Disulfanyl)butan-1-ol
CID 17829566
1,5-Bis(sulfanyl)pentan-1-ol
CID 20070190
Dithiolan-3-ylmethanol
CID 21252588
5-Hydroxypentanethial
CID 22228819
(1,2-Dimethylidenedithiolan-3-yl)methanol
CID 54117869
2-(1,2-Dimethylidenedithiolan-3-yl)ethanol
CID 54246199
5-(2-Hydroxyethyldisulfanyl)pentan-1-ol
CID 54440905
3-(1,3-Dithiolan-4-yl)propan-1-ol
CID 54546401
6-(Disulfanyl)hexan-1-ol
CID 57001493
5,5-Bis(sulfanyl)pentan-1-ol
CID 57005113

Frequently Asked Questions

What is the IUPAC name of 2-(dithiolan-3-yl)ethanol?
The IUPAC name of 2-(dithiolan-3-yl)ethanol (CID 86055892) is 2-(dithiolan-3-yl)ethanol.
What is the SMILES notation for 2-(dithiolan-3-yl)ethanol?
The canonical SMILES for 2-(dithiolan-3-yl)ethanol is OCCC1CCSS1.
What is the InChIKey of 2-(dithiolan-3-yl)ethanol?
The InChIKey is ZEZMXUUFAYJNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS2/c6-3-1-5-2-4-7-8-5/h5-6H,1-4H2.
What are the key properties of 2-(dithiolan-3-yl)ethanol?
2-(dithiolan-3-yl)ethanol has a molecular weight of 150.27 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dithiolan-3-yl)ethanol is sourced from PubChem (CID 86055892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).