ethyliodanuidylmethanesulfinic acid

C3H8IO2S- — CID 159204523

IUPACethyliodanuidylmethanesulfinic acid
SMILESCC[I-]CS(=O)O
InChIInChI=1S/C3H8IO2S/c1-2-4-3-7(5)6/h2-3H2,1H3,(H,5,6)/q-1
InChIKeyUSTHXYHFZGLFIW-UHFFFAOYSA-N
MW235.07 g/mol
LogP-2.73
Rot. Bonds3

About ethyliodanuidylmethanesulfinic acid

ethyliodanuidylmethanesulfinic acid (PubChem CID 159204523) has the molecular formula C3H8IO2S- and a molecular weight of 235.07 g/mol. Its IUPAC name is ethyliodanuidylmethanesulfinic acid.

Molecular Properties

Compound Nameethyliodanuidylmethanesulfinic acid
PubChem CID159204523
Molecular FormulaC3H8IO2S-
Molecular Weight235.07 g/mol
Exact Mass234.93
IUPAC Nameethyliodanuidylmethanesulfinic acid
SMILESCC[I-]CS(=O)O
InChIInChI=1S/C3H8IO2S/c1-2-4-3-7(5)6/h2-3H2,1H3,(H,5,6)/q-1
InChIKeyUSTHXYHFZGLFIW-UHFFFAOYSA-N
XLogP-2.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 5-2.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyliodanuidylmethanesulfinic acid?
The IUPAC name of ethyliodanuidylmethanesulfinic acid (CID 159204523) is ethyliodanuidylmethanesulfinic acid.
What is the SMILES notation for ethyliodanuidylmethanesulfinic acid?
The canonical SMILES for ethyliodanuidylmethanesulfinic acid is CC[I-]CS(=O)O.
What is the InChIKey of ethyliodanuidylmethanesulfinic acid?
The InChIKey is USTHXYHFZGLFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8IO2S/c1-2-4-3-7(5)6/h2-3H2,1H3,(H,5,6)/q-1.
What are the key properties of ethyliodanuidylmethanesulfinic acid?
ethyliodanuidylmethanesulfinic acid has a molecular weight of 235.07 g/mol, XLogP of -2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyliodanuidylmethanesulfinic acid is sourced from PubChem (CID 159204523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).