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

C6H12OS2 — CID 12778191

IUPAC2-(1,3-dithian-2-yl)ethanol
SMILESOCCC1SCCCS1
InChIInChI=1S/C6H12OS2/c7-3-2-6-8-4-1-5-9-6/h6-7H,1-5H2
InChIKeyYBACVTHKZMQAJF-UHFFFAOYSA-N
MW164.29 g/mol
LogP1.57
Rot. Bonds2

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

2-(1,3-dithian-2-yl)ethanol (PubChem CID 12778191) has the molecular formula C6H12OS2 and a molecular weight of 164.29 g/mol. Its IUPAC name is 2-(1,3-dithian-2-yl)ethanol.

Molecular Properties

Compound Name2-(1,3-dithian-2-yl)ethanol
PubChem CID12778191
Molecular FormulaC6H12OS2
Molecular Weight164.29 g/mol
Exact Mass164.03
IUPAC Name2-(1,3-dithian-2-yl)ethanol
SMILESOCCC1SCCCS1
InChIInChI=1S/C6H12OS2/c7-3-2-6-8-4-1-5-9-6/h6-7H,1-5H2
InChIKeyYBACVTHKZMQAJF-UHFFFAOYSA-N
XLogP1.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dithian-2-yl)ethanol?
The IUPAC name of 2-(1,3-dithian-2-yl)ethanol (CID 12778191) is 2-(1,3-dithian-2-yl)ethanol.
What is the SMILES notation for 2-(1,3-dithian-2-yl)ethanol?
The canonical SMILES for 2-(1,3-dithian-2-yl)ethanol is OCCC1SCCCS1.
What is the InChIKey of 2-(1,3-dithian-2-yl)ethanol?
The InChIKey is YBACVTHKZMQAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS2/c7-3-2-6-8-4-1-5-9-6/h6-7H,1-5H2.
What are the key properties of 2-(1,3-dithian-2-yl)ethanol?
2-(1,3-dithian-2-yl)ethanol has a molecular weight of 164.29 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dithian-2-yl)ethanol is sourced from PubChem (CID 12778191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).