2-(hydroxymethyl)-1,3-oxathiolan-4-ol

C4H8O3S — CID 21279158

IUPAC2-(hydroxymethyl)-1,3-oxathiolan-4-ol
SMILESOCC1OCC(O)S1
InChIInChI=1S/C4H8O3S/c5-1-4-7-2-3(6)8-4/h3-6H,1-2H2
InChIKeySLGYFGIQHHIEFQ-UHFFFAOYSA-N
MW136.17 g/mol
LogP-0.61
Rot. Bonds1

About 2-(hydroxymethyl)-1,3-oxathiolan-4-ol

2-(hydroxymethyl)-1,3-oxathiolan-4-ol (PubChem CID 21279158) has the molecular formula C4H8O3S and a molecular weight of 136.17 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1,3-oxathiolan-4-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-1,3-oxathiolan-4-ol
PubChem CID21279158
Molecular FormulaC4H8O3S
Molecular Weight136.17 g/mol
Exact Mass136.02
IUPAC Name2-(hydroxymethyl)-1,3-oxathiolan-4-ol
SMILESOCC1OCC(O)S1
InChIInChI=1S/C4H8O3S/c5-1-4-7-2-3(6)8-4/h3-6H,1-2H2
InChIKeySLGYFGIQHHIEFQ-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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CID 4133405
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CID 12933548
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CID 17877495
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CID 18435156
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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-1,3-oxathiolan-4-ol?
The IUPAC name of 2-(hydroxymethyl)-1,3-oxathiolan-4-ol (CID 21279158) is 2-(hydroxymethyl)-1,3-oxathiolan-4-ol.
What is the SMILES notation for 2-(hydroxymethyl)-1,3-oxathiolan-4-ol?
The canonical SMILES for 2-(hydroxymethyl)-1,3-oxathiolan-4-ol is OCC1OCC(O)S1.
What is the InChIKey of 2-(hydroxymethyl)-1,3-oxathiolan-4-ol?
The InChIKey is SLGYFGIQHHIEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3S/c5-1-4-7-2-3(6)8-4/h3-6H,1-2H2.
What are the key properties of 2-(hydroxymethyl)-1,3-oxathiolan-4-ol?
2-(hydroxymethyl)-1,3-oxathiolan-4-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-4-ol is sourced from PubChem (CID 21279158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).