7-methylnaphthalene-1-sulfinic acid

C11H10O2S — CID 71250211

IUPAC7-methylnaphthalene-1-sulfinic acid
SMILESCc1ccc2cccc(S(=O)O)c2c1
InChIInChI=1S/C11H10O2S/c1-8-5-6-9-3-2-4-11(14(12)13)10(9)7-8/h2-7H,1H3,(H,12,13)
InChIKeyVTOYBHAIDOKLBM-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.73
Rot. Bonds1

About 7-methylnaphthalene-1-sulfinic acid

7-methylnaphthalene-1-sulfinic acid (PubChem CID 71250211) has the molecular formula C11H10O2S and a molecular weight of 206.27 g/mol. Its IUPAC name is 7-methylnaphthalene-1-sulfinic acid.

Molecular Properties

Compound Name7-methylnaphthalene-1-sulfinic acid
PubChem CID71250211
Molecular FormulaC11H10O2S
Molecular Weight206.27 g/mol
Exact Mass206.04
IUPAC Name7-methylnaphthalene-1-sulfinic acid
SMILESCc1ccc2cccc(S(=O)O)c2c1
InChIInChI=1S/C11H10O2S/c1-8-5-6-9-3-2-4-11(14(12)13)10(9)7-8/h2-7H,1H3,(H,12,13)
InChIKeyVTOYBHAIDOKLBM-UHFFFAOYSA-N
XLogP2.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.73
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 7-methylnaphthalene-1-sulfinic acid?
The IUPAC name of 7-methylnaphthalene-1-sulfinic acid (CID 71250211) is 7-methylnaphthalene-1-sulfinic acid.
What is the SMILES notation for 7-methylnaphthalene-1-sulfinic acid?
The canonical SMILES for 7-methylnaphthalene-1-sulfinic acid is Cc1ccc2cccc(S(=O)O)c2c1.
What is the InChIKey of 7-methylnaphthalene-1-sulfinic acid?
The InChIKey is VTOYBHAIDOKLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2S/c1-8-5-6-9-3-2-4-11(14(12)13)10(9)7-8/h2-7H,1H3,(H,12,13).
What are the key properties of 7-methylnaphthalene-1-sulfinic acid?
7-methylnaphthalene-1-sulfinic acid has a molecular weight of 206.27 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylnaphthalene-1-sulfinic acid is sourced from PubChem (CID 71250211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).