1-sulfonaphthalene-2-sulfinate

C10H7O5S2- — CID 57156667

IUPAC1-sulfonaphthalene-2-sulfinate
SMILESO=S([O-])c1ccc2ccccc2c1S(=O)(=O)O
InChIInChI=1S/C10H8O5S2/c11-16(12)9-6-5-7-3-1-2-4-8(7)10(9)17(13,14)15/h1-6H,(H,11,12)(H,13,14,15)/p-1
InChIKeyGJSOGNZEHOASNA-UHFFFAOYSA-M
MW271.29 g/mol
LogP1.32
Rot. Bonds2

About 1-sulfonaphthalene-2-sulfinate

1-sulfonaphthalene-2-sulfinate (PubChem CID 57156667) has the molecular formula C10H7O5S2- and a molecular weight of 271.29 g/mol. Its IUPAC name is 1-sulfonaphthalene-2-sulfinate.

Molecular Properties

Compound Name1-sulfonaphthalene-2-sulfinate
PubChem CID57156667
Molecular FormulaC10H7O5S2-
Molecular Weight271.29 g/mol
Exact Mass270.97
IUPAC Name1-sulfonaphthalene-2-sulfinate
SMILESO=S([O-])c1ccc2ccccc2c1S(=O)(=O)O
InChIInChI=1S/C10H8O5S2/c11-16(12)9-6-5-7-3-1-2-4-8(7)10(9)17(13,14)15/h1-6H,(H,11,12)(H,13,14,15)/p-1
InChIKeyGJSOGNZEHOASNA-UHFFFAOYSA-M
XLogP1.32
TPSA94.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-sulfanylnaphthalene-1-sulfonic acid
CID 23287460
CID 87562735
CID 87562735
azane;2-[(1-sulfonaphthalen-2-yl)methyl]naphthalene-1-sulfonic acid
CID 138400262
phenanthrene-1-sulfinate
CID 57162445
acetic acid;naphthalene-1,2-disulfonic acid
CID 162339249
2-ethenylnaphthalene-1-sulfonic acid
CID 22239218
2-(2-hydroxyethoxy)naphthalene-1-sulfonic acid
CID 139692859
2-(2-aminoethoxy)naphthalene-1-sulfonic acid
CID 139785421
1-(2-sulfinonaphthalen-1-yl)naphthalene-2-sulfinic acid
CID 101353130
2-(2-hydroxynaphthalen-1-yl)-6,7-diazabicyclo[3.2.1]octa-1,3,5(8),6-tetraene-8-sulfonic acid
CID 141310897
2-(3-sulfopropoxy)naphthalene-1-sulfonic acid
CID 172802950
2-prop-2-enoyloxynaphthalene-1-sulfonic acid
CID 19032205

Frequently Asked Questions

What is the IUPAC name of 1-sulfonaphthalene-2-sulfinate?
The IUPAC name of 1-sulfonaphthalene-2-sulfinate (CID 57156667) is 1-sulfonaphthalene-2-sulfinate.
What is the SMILES notation for 1-sulfonaphthalene-2-sulfinate?
The canonical SMILES for 1-sulfonaphthalene-2-sulfinate is O=S([O-])c1ccc2ccccc2c1S(=O)(=O)O.
What is the InChIKey of 1-sulfonaphthalene-2-sulfinate?
The InChIKey is GJSOGNZEHOASNA-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H8O5S2/c11-16(12)9-6-5-7-3-1-2-4-8(7)10(9)17(13,14)15/h1-6H,(H,11,12)(H,13,14,15)/p-1.
What are the key properties of 1-sulfonaphthalene-2-sulfinate?
1-sulfonaphthalene-2-sulfinate has a molecular weight of 271.29 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfonaphthalene-2-sulfinate is sourced from PubChem (CID 57156667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).