3-ethylthiolan-3-ol

C6H12OS — CID 79952919

IUPAC3-ethylthiolan-3-ol
SMILESCCC1(O)CCSC1
InChIInChI=1S/C6H12OS/c1-2-6(7)3-4-8-5-6/h7H,2-5H2,1H3
InChIKeyFEALZWNAFHKZTL-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.26
Rot. Bonds1

About 3-ethylthiolan-3-ol

3-ethylthiolan-3-ol (PubChem CID 79952919) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is 3-ethylthiolan-3-ol.

Molecular Properties

Compound Name3-ethylthiolan-3-ol
PubChem CID79952919
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name3-ethylthiolan-3-ol
SMILESCCC1(O)CCSC1
InChIInChI=1S/C6H12OS/c1-2-6(7)3-4-8-5-6/h7H,2-5H2,1H3
InChIKeyFEALZWNAFHKZTL-UHFFFAOYSA-N
XLogP1.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethylthiolan-3-ol?
The IUPAC name of 3-ethylthiolan-3-ol (CID 79952919) is 3-ethylthiolan-3-ol.
What is the SMILES notation for 3-ethylthiolan-3-ol?
The canonical SMILES for 3-ethylthiolan-3-ol is CCC1(O)CCSC1.
What is the InChIKey of 3-ethylthiolan-3-ol?
The InChIKey is FEALZWNAFHKZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c1-2-6(7)3-4-8-5-6/h7H,2-5H2,1H3.
What are the key properties of 3-ethylthiolan-3-ol?
3-ethylthiolan-3-ol has a molecular weight of 132.23 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylthiolan-3-ol is sourced from PubChem (CID 79952919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).