[(2S)-1,3-oxathiolan-2-yl]methanol

C4H8O2S — CID 46244897

IUPAC[(2S)-1,3-oxathiolan-2-yl]methanol
SMILESOC[C@H]1OCCS1
InChIInChI=1S/C4H8O2S/c5-3-4-6-1-2-7-4/h4-5H,1-3H2/t4-/m0/s1
InChIKeyCHFYSOCPHBZWAG-BYPYZUCNSA-N
MW120.17 g/mol
LogP0.07
Rot. Bonds1

About [(2S)-1,3-oxathiolan-2-yl]methanol

[(2S)-1,3-oxathiolan-2-yl]methanol (PubChem CID 46244897) has the molecular formula C4H8O2S and a molecular weight of 120.17 g/mol. Its IUPAC name is [(2S)-1,3-oxathiolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1,3-oxathiolan-2-yl]methanol
PubChem CID46244897
Molecular FormulaC4H8O2S
Molecular Weight120.17 g/mol
Exact Mass120.02
IUPAC Name[(2S)-1,3-oxathiolan-2-yl]methanol
SMILESOC[C@H]1OCCS1
InChIInChI=1S/C4H8O2S/c5-3-4-6-1-2-7-4/h4-5H,1-3H2/t4-/m0/s1
InChIKeyCHFYSOCPHBZWAG-BYPYZUCNSA-N
XLogP0.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.17
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1,3-oxathiolan-2-yl]methanol?
The IUPAC name of [(2S)-1,3-oxathiolan-2-yl]methanol (CID 46244897) is [(2S)-1,3-oxathiolan-2-yl]methanol.
What is the SMILES notation for [(2S)-1,3-oxathiolan-2-yl]methanol?
The canonical SMILES for [(2S)-1,3-oxathiolan-2-yl]methanol is OC[C@H]1OCCS1.
What is the InChIKey of [(2S)-1,3-oxathiolan-2-yl]methanol?
The InChIKey is CHFYSOCPHBZWAG-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H8O2S/c5-3-4-6-1-2-7-4/h4-5H,1-3H2/t4-/m0/s1.
What are the key properties of [(2S)-1,3-oxathiolan-2-yl]methanol?
[(2S)-1,3-oxathiolan-2-yl]methanol has a molecular weight of 120.17 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1,3-oxathiolan-2-yl]methanol is sourced from PubChem (CID 46244897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).