2-(hydroxymethyl)-1,3-oxathiolan-5-ol

C4H8O3S — CID 20744763

IUPAC2-(hydroxymethyl)-1,3-oxathiolan-5-ol
SMILESOCC1OC(O)CS1
InChIInChI=1S/C4H8O3S/c5-1-4-7-3(6)2-8-4/h3-6H,1-2H2
InChIKeyXTATYNCEPNYPJA-UHFFFAOYSA-N
MW136.17 g/mol
LogP-0.61
Rot. Bonds1

About 2-(hydroxymethyl)-1,3-oxathiolan-5-ol

2-(hydroxymethyl)-1,3-oxathiolan-5-ol (PubChem CID 20744763) has the molecular formula C4H8O3S and a molecular weight of 136.17 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1,3-oxathiolan-5-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-1,3-oxathiolan-5-ol
PubChem CID20744763
Molecular FormulaC4H8O3S
Molecular Weight136.17 g/mol
Exact Mass136.02
IUPAC Name2-(hydroxymethyl)-1,3-oxathiolan-5-ol
SMILESOCC1OC(O)CS1
InChIInChI=1S/C4H8O3S/c5-1-4-7-3(6)2-8-4/h3-6H,1-2H2
InChIKeyXTATYNCEPNYPJA-UHFFFAOYSA-N
XLogP-0.61
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.17
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-Ethoxy-1,3-oxathiolan-2-yl)methanol
CID 15168217
(2R)-2-(hydroxymethyl)-1,3-oxathiolan-5-ol
CID 170456158
2-(4,5-Dihydroxy-1,3-oxathiolan-2-yl)-1,3-oxathiolane-4,5-diol
CID 15043698
1,3-Oxathiolan-2-ylmethanol
CID 17877495
2-[2-[1,3-Dioxolan-2-yl]ethylthio]ethanol
CID 19082181
2-(2-Methylsulfanylethyl)-1,3-dioxolan-4-ol
CID 19861962
(2-Ethyl-1,3-dioxolan-4-yl)sulfanylmethanol
CID 19861965
2-(Ethylperoxymethyl)-1,3-oxathiolan-5-ol
CID 20744760
Actinium;2-(hydroxymethyl)-1,3-oxathiolan-5-ol
CID 20744762
2-Methyl-1,3-oxathiolan-5-ol
CID 20744765
(5-Methoxy-1,3-oxathiolan-2-yl)methanol
CID 21262707
2-(Hydroxymethyl)-1,3-oxathiolan-4-ol
CID 21279158

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-1,3-oxathiolan-5-ol?
The IUPAC name of 2-(hydroxymethyl)-1,3-oxathiolan-5-ol (CID 20744763) is 2-(hydroxymethyl)-1,3-oxathiolan-5-ol.
What is the SMILES notation for 2-(hydroxymethyl)-1,3-oxathiolan-5-ol?
The canonical SMILES for 2-(hydroxymethyl)-1,3-oxathiolan-5-ol is OCC1OC(O)CS1.
What is the InChIKey of 2-(hydroxymethyl)-1,3-oxathiolan-5-ol?
The InChIKey is XTATYNCEPNYPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3S/c5-1-4-7-3(6)2-8-4/h3-6H,1-2H2.
What are the key properties of 2-(hydroxymethyl)-1,3-oxathiolan-5-ol?
2-(hydroxymethyl)-1,3-oxathiolan-5-ol has a molecular weight of 136.17 g/mol, XLogP of -0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-1,3-oxathiolan-5-ol is sourced from PubChem (CID 20744763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).