4-chloronaphthalene-1-sulfinic acid

C10H7ClO2S — CID 20524871

IUPAC4-chloronaphthalene-1-sulfinic acid
SMILESO=S(O)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C10H7ClO2S/c11-9-5-6-10(14(12)13)8-4-2-1-3-7(8)9/h1-6H,(H,12,13)
InChIKeyXNOUZXMLKUVHHG-UHFFFAOYSA-N
MW226.68 g/mol
LogP3.07
Rot. Bonds1

About 4-chloronaphthalene-1-sulfinic acid

4-chloronaphthalene-1-sulfinic acid (PubChem CID 20524871) has the molecular formula C10H7ClO2S and a molecular weight of 226.68 g/mol. Its IUPAC name is 4-chloronaphthalene-1-sulfinic acid.

Molecular Properties

Compound Name4-chloronaphthalene-1-sulfinic acid
PubChem CID20524871
Molecular FormulaC10H7ClO2S
Molecular Weight226.68 g/mol
Exact Mass225.99
IUPAC Name4-chloronaphthalene-1-sulfinic acid
SMILESO=S(O)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C10H7ClO2S/c11-9-5-6-10(14(12)13)8-4-2-1-3-7(8)9/h1-6H,(H,12,13)
InChIKeyXNOUZXMLKUVHHG-UHFFFAOYSA-N
XLogP3.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.68
LogP ≤ 53.07
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 4-chloronaphthalene-1-sulfinic acid?
The IUPAC name of 4-chloronaphthalene-1-sulfinic acid (CID 20524871) is 4-chloronaphthalene-1-sulfinic acid.
What is the SMILES notation for 4-chloronaphthalene-1-sulfinic acid?
The canonical SMILES for 4-chloronaphthalene-1-sulfinic acid is O=S(O)c1ccc(Cl)c2ccccc12.
What is the InChIKey of 4-chloronaphthalene-1-sulfinic acid?
The InChIKey is XNOUZXMLKUVHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO2S/c11-9-5-6-10(14(12)13)8-4-2-1-3-7(8)9/h1-6H,(H,12,13).
What are the key properties of 4-chloronaphthalene-1-sulfinic acid?
4-chloronaphthalene-1-sulfinic acid has a molecular weight of 226.68 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloronaphthalene-1-sulfinic acid is sourced from PubChem (CID 20524871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).