2-(1,3-dithiol-2-yl)ethanol

C5H8OS2 — CID 141010646

IUPAC2-(1,3-dithiol-2-yl)ethanol
SMILESOCCC1SC=CS1
InChIInChI=1S/C5H8OS2/c6-2-1-5-7-3-4-8-5/h3-6H,1-2H2
InChIKeyBYLNCYFQBWMVGH-UHFFFAOYSA-N
MW148.25 g/mol
LogP1.65
Rot. Bonds2

About 2-(1,3-dithiol-2-yl)ethanol

2-(1,3-dithiol-2-yl)ethanol (PubChem CID 141010646) has the molecular formula C5H8OS2 and a molecular weight of 148.25 g/mol. Its IUPAC name is 2-(1,3-dithiol-2-yl)ethanol.

Molecular Properties

Compound Name2-(1,3-dithiol-2-yl)ethanol
PubChem CID141010646
Molecular FormulaC5H8OS2
Molecular Weight148.25 g/mol
Exact Mass148.00
IUPAC Name2-(1,3-dithiol-2-yl)ethanol
SMILESOCCC1SC=CS1
InChIInChI=1S/C5H8OS2/c6-2-1-5-7-3-4-8-5/h3-6H,1-2H2
InChIKeyBYLNCYFQBWMVGH-UHFFFAOYSA-N
XLogP1.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dithiol-2-yl)ethanol?
The IUPAC name of 2-(1,3-dithiol-2-yl)ethanol (CID 141010646) is 2-(1,3-dithiol-2-yl)ethanol.
What is the SMILES notation for 2-(1,3-dithiol-2-yl)ethanol?
The canonical SMILES for 2-(1,3-dithiol-2-yl)ethanol is OCCC1SC=CS1.
What is the InChIKey of 2-(1,3-dithiol-2-yl)ethanol?
The InChIKey is BYLNCYFQBWMVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS2/c6-2-1-5-7-3-4-8-5/h3-6H,1-2H2.
What are the key properties of 2-(1,3-dithiol-2-yl)ethanol?
2-(1,3-dithiol-2-yl)ethanol has a molecular weight of 148.25 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dithiol-2-yl)ethanol is sourced from PubChem (CID 141010646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).