azirine-1-sulfinic acid

C2H3NO2S — CID 57220265

IUPACazirine-1-sulfinic acid
SMILESO=S(O)N1C=C1
InChIInChI=1S/C2H3NO2S/c4-6(5)3-1-2-3/h1-2H,(H,4,5)
InChIKeyPMCAMPYRRMFIEX-UHFFFAOYSA-N
MW105.12 g/mol
LogP-0.09
Rot. Bonds1

About azirine-1-sulfinic acid

azirine-1-sulfinic acid (PubChem CID 57220265) has the molecular formula C2H3NO2S and a molecular weight of 105.12 g/mol. Its IUPAC name is azirine-1-sulfinic acid.

Molecular Properties

Compound Nameazirine-1-sulfinic acid
PubChem CID57220265
Molecular FormulaC2H3NO2S
Molecular Weight105.12 g/mol
Exact Mass104.99
IUPAC Nameazirine-1-sulfinic acid
SMILESO=S(O)N1C=C1
InChIInChI=1S/C2H3NO2S/c4-6(5)3-1-2-3/h1-2H,(H,4,5)
InChIKeyPMCAMPYRRMFIEX-UHFFFAOYSA-N
XLogP-0.09
TPSA40.31 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.12
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 azirine-1-sulfinic acid?
The IUPAC name of azirine-1-sulfinic acid (CID 57220265) is azirine-1-sulfinic acid.
What is the SMILES notation for azirine-1-sulfinic acid?
The canonical SMILES for azirine-1-sulfinic acid is O=S(O)N1C=C1.
What is the InChIKey of azirine-1-sulfinic acid?
The InChIKey is PMCAMPYRRMFIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3NO2S/c4-6(5)3-1-2-3/h1-2H,(H,4,5).
What are the key properties of azirine-1-sulfinic acid?
azirine-1-sulfinic acid has a molecular weight of 105.12 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azirine-1-sulfinic acid is sourced from PubChem (CID 57220265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).