4-(hydroxymethyl)thiolan-3-ol

C5H10O2S — CID 83815069

IUPAC4-(hydroxymethyl)thiolan-3-ol
SMILESOCC1CSCC1O
InChIInChI=1S/C5H10O2S/c6-1-4-2-8-3-5(4)7/h4-7H,1-3H2
InChIKeyCFIAXNQYOJLXJX-UHFFFAOYSA-N
MW134.20 g/mol
LogP-0.30
Rot. Bonds1

About 4-(hydroxymethyl)thiolan-3-ol

4-(hydroxymethyl)thiolan-3-ol (PubChem CID 83815069) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is 4-(hydroxymethyl)thiolan-3-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)thiolan-3-ol
PubChem CID83815069
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Name4-(hydroxymethyl)thiolan-3-ol
SMILESOCC1CSCC1O
InChIInChI=1S/C5H10O2S/c6-1-4-2-8-3-5(4)7/h4-7H,1-3H2
InChIKeyCFIAXNQYOJLXJX-UHFFFAOYSA-N
XLogP-0.30
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)thiolan-3-ol?
The IUPAC name of 4-(hydroxymethyl)thiolan-3-ol (CID 83815069) is 4-(hydroxymethyl)thiolan-3-ol.
What is the SMILES notation for 4-(hydroxymethyl)thiolan-3-ol?
The canonical SMILES for 4-(hydroxymethyl)thiolan-3-ol is OCC1CSCC1O.
What is the InChIKey of 4-(hydroxymethyl)thiolan-3-ol?
The InChIKey is CFIAXNQYOJLXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S/c6-1-4-2-8-3-5(4)7/h4-7H,1-3H2.
What are the key properties of 4-(hydroxymethyl)thiolan-3-ol?
4-(hydroxymethyl)thiolan-3-ol has a molecular weight of 134.20 g/mol, XLogP of -0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)thiolan-3-ol is sourced from PubChem (CID 83815069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).