5-(hydroxymethyl)thiophen-3-ol

C5H6O2S — CID 69314526

IUPAC5-(hydroxymethyl)thiophen-3-ol
SMILESOCc1cc(O)cs1
InChIInChI=1S/C5H6O2S/c6-2-5-1-4(7)3-8-5/h1,3,6-7H,2H2
InChIKeyLOUVUTBXDHCVQS-UHFFFAOYSA-N
MW130.17 g/mol
LogP0.95
Rot. Bonds1

About 5-(hydroxymethyl)thiophen-3-ol

5-(hydroxymethyl)thiophen-3-ol (PubChem CID 69314526) has the molecular formula C5H6O2S and a molecular weight of 130.17 g/mol. Its IUPAC name is 5-(hydroxymethyl)thiophen-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)thiophen-3-ol
PubChem CID69314526
Molecular FormulaC5H6O2S
Molecular Weight130.17 g/mol
Exact Mass130.01
IUPAC Name5-(hydroxymethyl)thiophen-3-ol
SMILESOCc1cc(O)cs1
InChIInChI=1S/C5H6O2S/c6-2-5-1-4(7)3-8-5/h1,3,6-7H,2H2
InChIKeyLOUVUTBXDHCVQS-UHFFFAOYSA-N
XLogP0.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)thiophen-3-ol?
The IUPAC name of 5-(hydroxymethyl)thiophen-3-ol (CID 69314526) is 5-(hydroxymethyl)thiophen-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)thiophen-3-ol?
The canonical SMILES for 5-(hydroxymethyl)thiophen-3-ol is OCc1cc(O)cs1.
What is the InChIKey of 5-(hydroxymethyl)thiophen-3-ol?
The InChIKey is LOUVUTBXDHCVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O2S/c6-2-5-1-4(7)3-8-5/h1,3,6-7H,2H2.
What are the key properties of 5-(hydroxymethyl)thiophen-3-ol?
5-(hydroxymethyl)thiophen-3-ol has a molecular weight of 130.17 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)thiophen-3-ol is sourced from PubChem (CID 69314526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).