2-(thietan-3-yl)ethanol

C5H10OS — CID 67527600

IUPAC2-(thietan-3-yl)ethanol
SMILESOCCC1CSC1
InChIInChI=1S/C5H10OS/c6-2-1-5-3-7-4-5/h5-6H,1-4H2
InChIKeyADYMDEHXWVSQOJ-UHFFFAOYSA-N
MW118.20 g/mol
LogP0.73
Rot. Bonds2

About 2-(thietan-3-yl)ethanol

2-(thietan-3-yl)ethanol (PubChem CID 67527600) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is 2-(thietan-3-yl)ethanol.

Molecular Properties

Compound Name2-(thietan-3-yl)ethanol
PubChem CID67527600
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name2-(thietan-3-yl)ethanol
SMILESOCCC1CSC1
InChIInChI=1S/C5H10OS/c6-2-1-5-3-7-4-5/h5-6H,1-4H2
InChIKeyADYMDEHXWVSQOJ-UHFFFAOYSA-N
XLogP0.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(thietan-3-yl)ethanol?
The IUPAC name of 2-(thietan-3-yl)ethanol (CID 67527600) is 2-(thietan-3-yl)ethanol.
What is the SMILES notation for 2-(thietan-3-yl)ethanol?
The canonical SMILES for 2-(thietan-3-yl)ethanol is OCCC1CSC1.
What is the InChIKey of 2-(thietan-3-yl)ethanol?
The InChIKey is ADYMDEHXWVSQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS/c6-2-1-5-3-7-4-5/h5-6H,1-4H2.
What are the key properties of 2-(thietan-3-yl)ethanol?
2-(thietan-3-yl)ethanol has a molecular weight of 118.20 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thietan-3-yl)ethanol is sourced from PubChem (CID 67527600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).