[4-(hydroxymethyl)-1,3-oxathietan-2-yl]methanol

C4H8O3S — CID 18435156

IUPAC[4-(hydroxymethyl)-1,3-oxathietan-2-yl]methanol
SMILESOCC1OC(CO)S1
InChIInChI=1S/C4H8O3S/c5-1-3-7-4(2-6)8-3/h3-6H,1-2H2
InChIKeyIPKOEHGGFGMUTL-UHFFFAOYSA-N
MW136.17 g/mol
LogP-0.61
Rot. Bonds2

About [4-(hydroxymethyl)-1,3-oxathietan-2-yl]methanol

[4-(hydroxymethyl)-1,3-oxathietan-2-yl]methanol (PubChem CID 18435156) has the molecular formula C4H8O3S and a molecular weight of 136.17 g/mol. Its IUPAC name is [4-(hydroxymethyl)-1,3-oxathietan-2-yl]methanol.

Molecular Properties

Compound Name[4-(hydroxymethyl)-1,3-oxathietan-2-yl]methanol
PubChem CID18435156
Molecular FormulaC4H8O3S
Molecular Weight136.17 g/mol
Exact Mass136.02
IUPAC Name[4-(hydroxymethyl)-1,3-oxathietan-2-yl]methanol
SMILESOCC1OC(CO)S1
InChIInChI=1S/C4H8O3S/c5-1-3-7-4(2-6)8-3/h3-6H,1-2H2
InChIKeyIPKOEHGGFGMUTL-UHFFFAOYSA-N
XLogP-0.61
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-1,3-oxathietan-2-yl]methanol?
The IUPAC name of [4-(hydroxymethyl)-1,3-oxathietan-2-yl]methanol (CID 18435156) is [4-(hydroxymethyl)-1,3-oxathietan-2-yl]methanol.
What is the SMILES notation for [4-(hydroxymethyl)-1,3-oxathietan-2-yl]methanol?
The canonical SMILES for [4-(hydroxymethyl)-1,3-oxathietan-2-yl]methanol is OCC1OC(CO)S1.
What is the InChIKey of [4-(hydroxymethyl)-1,3-oxathietan-2-yl]methanol?
The InChIKey is IPKOEHGGFGMUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3S/c5-1-3-7-4(2-6)8-3/h3-6H,1-2H2.
What are the key properties of [4-(hydroxymethyl)-1,3-oxathietan-2-yl]methanol?
[4-(hydroxymethyl)-1,3-oxathietan-2-yl]methanol has a molecular weight of 136.17 g/mol, XLogP of -0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-1,3-oxathietan-2-yl]methanol is sourced from PubChem (CID 18435156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).