6-sulfinonaphthalene-2-sulfinate

C10H7O4S2- — CID 59930954

IUPAC6-sulfinonaphthalene-2-sulfinate
SMILESO=S([O-])c1ccc2cc(S(=O)O)ccc2c1
InChIInChI=1S/C10H8O4S2/c11-15(12)9-3-1-7-5-10(16(13)14)4-2-8(7)6-9/h1-6H,(H,11,12)(H,13,14)/p-1
InChIKeyGWDFUNAAGQQTCP-UHFFFAOYSA-M
MW255.30 g/mol
LogP1.66
Rot. Bonds2

About 6-sulfinonaphthalene-2-sulfinate

6-sulfinonaphthalene-2-sulfinate (PubChem CID 59930954) has the molecular formula C10H7O4S2- and a molecular weight of 255.30 g/mol. Its IUPAC name is 6-sulfinonaphthalene-2-sulfinate.

Molecular Properties

Compound Name6-sulfinonaphthalene-2-sulfinate
PubChem CID59930954
Molecular FormulaC10H7O4S2-
Molecular Weight255.30 g/mol
Exact Mass254.98
IUPAC Name6-sulfinonaphthalene-2-sulfinate
SMILESO=S([O-])c1ccc2cc(S(=O)O)ccc2c1
InChIInChI=1S/C10H8O4S2/c11-15(12)9-3-1-7-5-10(16(13)14)4-2-8(7)6-9/h1-6H,(H,11,12)(H,13,14)/p-1
InChIKeyGWDFUNAAGQQTCP-UHFFFAOYSA-M
XLogP1.66
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-sulfinonaphthalene-2-sulfinate?
The IUPAC name of 6-sulfinonaphthalene-2-sulfinate (CID 59930954) is 6-sulfinonaphthalene-2-sulfinate.
What is the SMILES notation for 6-sulfinonaphthalene-2-sulfinate?
The canonical SMILES for 6-sulfinonaphthalene-2-sulfinate is O=S([O-])c1ccc2cc(S(=O)O)ccc2c1.
What is the InChIKey of 6-sulfinonaphthalene-2-sulfinate?
The InChIKey is GWDFUNAAGQQTCP-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H8O4S2/c11-15(12)9-3-1-7-5-10(16(13)14)4-2-8(7)6-9/h1-6H,(H,11,12)(H,13,14)/p-1.
What are the key properties of 6-sulfinonaphthalene-2-sulfinate?
6-sulfinonaphthalene-2-sulfinate has a molecular weight of 255.30 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-sulfinonaphthalene-2-sulfinate is sourced from PubChem (CID 59930954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).