3-(1-oxothiolan-3-yl)propan-1-ol

C7H14O2S — CID 69453442

IUPAC3-(1-oxothiolan-3-yl)propan-1-ol
SMILESO=S1CCC(CCCO)C1
InChIInChI=1S/C7H14O2S/c8-4-1-2-7-3-5-10(9)6-7/h7-8H,1-6H2
InChIKeyJRTWNHSVBYYKDO-UHFFFAOYSA-N
MW162.25 g/mol
LogP0.53
Rot. Bonds3

About 3-(1-oxothiolan-3-yl)propan-1-ol

3-(1-oxothiolan-3-yl)propan-1-ol (PubChem CID 69453442) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is 3-(1-oxothiolan-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1-oxothiolan-3-yl)propan-1-ol
PubChem CID69453442
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Name3-(1-oxothiolan-3-yl)propan-1-ol
SMILESO=S1CCC(CCCO)C1
InChIInChI=1S/C7H14O2S/c8-4-1-2-7-3-5-10(9)6-7/h7-8H,1-6H2
InChIKeyJRTWNHSVBYYKDO-UHFFFAOYSA-N
XLogP0.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-oxothiolan-3-yl)propan-1-ol?
The IUPAC name of 3-(1-oxothiolan-3-yl)propan-1-ol (CID 69453442) is 3-(1-oxothiolan-3-yl)propan-1-ol.
What is the SMILES notation for 3-(1-oxothiolan-3-yl)propan-1-ol?
The canonical SMILES for 3-(1-oxothiolan-3-yl)propan-1-ol is O=S1CCC(CCCO)C1.
What is the InChIKey of 3-(1-oxothiolan-3-yl)propan-1-ol?
The InChIKey is JRTWNHSVBYYKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2S/c8-4-1-2-7-3-5-10(9)6-7/h7-8H,1-6H2.
What are the key properties of 3-(1-oxothiolan-3-yl)propan-1-ol?
3-(1-oxothiolan-3-yl)propan-1-ol has a molecular weight of 162.25 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-oxothiolan-3-yl)propan-1-ol is sourced from PubChem (CID 69453442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).