1-oxothiolan-3-ol

C4H8O2S — CID 54241219

IUPAC1-oxothiolan-3-ol
SMILESO=S1CCC(O)C1
InChIInChI=1S/C4H8O2S/c5-4-1-2-7(6)3-4/h4-5H,1-3H2
InChIKeyMCFCMEPCEDMEIY-UHFFFAOYSA-N
MW120.17 g/mol
LogP-0.50
Rot. Bonds

About 1-oxothiolan-3-ol

1-oxothiolan-3-ol (PubChem CID 54241219) has the molecular formula C4H8O2S and a molecular weight of 120.17 g/mol. Its IUPAC name is 1-oxothiolan-3-ol.

Molecular Properties

Compound Name1-oxothiolan-3-ol
PubChem CID54241219
Molecular FormulaC4H8O2S
Molecular Weight120.17 g/mol
Exact Mass120.02
IUPAC Name1-oxothiolan-3-ol
SMILESO=S1CCC(O)C1
InChIInChI=1S/C4H8O2S/c5-4-1-2-7(6)3-4/h4-5H,1-3H2
InChIKeyMCFCMEPCEDMEIY-UHFFFAOYSA-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 1-oxothiolan-3-ol?
The IUPAC name of 1-oxothiolan-3-ol (CID 54241219) is 1-oxothiolan-3-ol.
What is the SMILES notation for 1-oxothiolan-3-ol?
The canonical SMILES for 1-oxothiolan-3-ol is O=S1CCC(O)C1.
What is the InChIKey of 1-oxothiolan-3-ol?
The InChIKey is MCFCMEPCEDMEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2S/c5-4-1-2-7(6)3-4/h4-5H,1-3H2.
What are the key properties of 1-oxothiolan-3-ol?
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 1-oxothiolan-3-ol is sourced from PubChem (CID 54241219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).