(1S)-1-oxothiolan-3-ol

C4H8O2S — CID 175132344

IUPAC(1S)-1-oxothiolan-3-ol
SMILESO=[S@]1CCC(O)C1
InChIInChI=1S/C4H8O2S/c5-4-1-2-7(6)3-4/h4-5H,1-3H2/t4?,7-/m0/s1
InChIKeyMCFCMEPCEDMEIY-DRGSQQHPSA-N
MW120.17 g/mol
LogP-0.50
Rot. Bonds

About (1S)-1-oxothiolan-3-ol

(1S)-1-oxothiolan-3-ol (PubChem CID 175132344) has the molecular formula C4H8O2S and a molecular weight of 120.17 g/mol. Its IUPAC name is (1S)-1-oxothiolan-3-ol.

Molecular Properties

Compound Name(1S)-1-oxothiolan-3-ol
PubChem CID175132344
Molecular FormulaC4H8O2S
Molecular Weight120.17 g/mol
Exact Mass120.02
IUPAC Name(1S)-1-oxothiolan-3-ol
SMILESO=[S@]1CCC(O)C1
InChIInChI=1S/C4H8O2S/c5-4-1-2-7(6)3-4/h4-5H,1-3H2/t4?,7-/m0/s1
InChIKeyMCFCMEPCEDMEIY-DRGSQQHPSA-N
XLogP-0.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-oxothiolan-3-ol?
The IUPAC name of (1S)-1-oxothiolan-3-ol (CID 175132344) is (1S)-1-oxothiolan-3-ol.
What is the SMILES notation for (1S)-1-oxothiolan-3-ol?
The canonical SMILES for (1S)-1-oxothiolan-3-ol is O=[S@]1CCC(O)C1.
What is the InChIKey of (1S)-1-oxothiolan-3-ol?
The InChIKey is MCFCMEPCEDMEIY-DRGSQQHPSA-N. The full InChI is InChI=1S/C4H8O2S/c5-4-1-2-7(6)3-4/h4-5H,1-3H2/t4?,7-/m0/s1.
What are the key properties of (1S)-1-oxothiolan-3-ol?
(1S)-1-oxothiolan-3-ol has a molecular weight of 120.17 g/mol, XLogP of -0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-oxothiolan-3-ol is sourced from PubChem (CID 175132344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).