hydroxy(thiophen-2-yl)methanesulfinic acid

C5H6O3S2 — CID 66873149

IUPAChydroxy(thiophen-2-yl)methanesulfinic acid
SMILESO=S(O)C(O)c1cccs1
InChIInChI=1S/C5H6O3S2/c6-5(10(7)8)4-2-1-3-9-4/h1-3,5-6H,(H,7,8)
InChIKeyKUBZVEGIHIAREM-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.96
Rot. Bonds2

About hydroxy(thiophen-2-yl)methanesulfinic acid

hydroxy(thiophen-2-yl)methanesulfinic acid (PubChem CID 66873149) has the molecular formula C5H6O3S2 and a molecular weight of 178.23 g/mol. Its IUPAC name is hydroxy(thiophen-2-yl)methanesulfinic acid.

Molecular Properties

Compound Namehydroxy(thiophen-2-yl)methanesulfinic acid
PubChem CID66873149
Molecular FormulaC5H6O3S2
Molecular Weight178.23 g/mol
Exact Mass177.98
IUPAC Namehydroxy(thiophen-2-yl)methanesulfinic acid
SMILESO=S(O)C(O)c1cccs1
InChIInChI=1S/C5H6O3S2/c6-5(10(7)8)4-2-1-3-9-4/h1-3,5-6H,(H,7,8)
InChIKeyKUBZVEGIHIAREM-UHFFFAOYSA-N
XLogP0.96
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze hydroxy(thiophen-2-yl)methanesulfinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of hydroxy(thiophen-2-yl)methanesulfinic acid?
The IUPAC name of hydroxy(thiophen-2-yl)methanesulfinic acid (CID 66873149) is hydroxy(thiophen-2-yl)methanesulfinic acid.
What is the SMILES notation for hydroxy(thiophen-2-yl)methanesulfinic acid?
The canonical SMILES for hydroxy(thiophen-2-yl)methanesulfinic acid is O=S(O)C(O)c1cccs1.
What is the InChIKey of hydroxy(thiophen-2-yl)methanesulfinic acid?
The InChIKey is KUBZVEGIHIAREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O3S2/c6-5(10(7)8)4-2-1-3-9-4/h1-3,5-6H,(H,7,8).
What are the key properties of hydroxy(thiophen-2-yl)methanesulfinic acid?
hydroxy(thiophen-2-yl)methanesulfinic acid has a molecular weight of 178.23 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy(thiophen-2-yl)methanesulfinic acid is sourced from PubChem (CID 66873149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).