oxetane-2-sulfinic acid

C3H6O3S — CID 172704038

IUPACoxetane-2-sulfinic acid
SMILESO=S(O)C1CCO1
InChIInChI=1S/C3H6O3S/c4-7(5)3-1-2-6-3/h3H,1-2H2,(H,4,5)
InChIKeyJNUDNAMQAHKPPQ-UHFFFAOYSA-N
MW122.14 g/mol
LogP-0.05
Rot. Bonds1

About oxetane-2-sulfinic acid

oxetane-2-sulfinic acid (PubChem CID 172704038) has the molecular formula C3H6O3S and a molecular weight of 122.14 g/mol. Its IUPAC name is oxetane-2-sulfinic acid.

Molecular Properties

Compound Nameoxetane-2-sulfinic acid
PubChem CID172704038
Molecular FormulaC3H6O3S
Molecular Weight122.14 g/mol
Exact Mass122.00
IUPAC Nameoxetane-2-sulfinic acid
SMILESO=S(O)C1CCO1
InChIInChI=1S/C3H6O3S/c4-7(5)3-1-2-6-3/h3H,1-2H2,(H,4,5)
InChIKeyJNUDNAMQAHKPPQ-UHFFFAOYSA-N
XLogP-0.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.14
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxetane-2-sulfinic acid?
The IUPAC name of oxetane-2-sulfinic acid (CID 172704038) is oxetane-2-sulfinic acid.
What is the SMILES notation for oxetane-2-sulfinic acid?
The canonical SMILES for oxetane-2-sulfinic acid is O=S(O)C1CCO1.
What is the InChIKey of oxetane-2-sulfinic acid?
The InChIKey is JNUDNAMQAHKPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3S/c4-7(5)3-1-2-6-3/h3H,1-2H2,(H,4,5).
What are the key properties of oxetane-2-sulfinic acid?
oxetane-2-sulfinic acid has a molecular weight of 122.14 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxetane-2-sulfinic acid is sourced from PubChem (CID 172704038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).