disodium;6-iodonaphthalene-1,3-disulfonate

C10H5INa2O6S2 — CID 25229433

IUPACdisodium;6-iodonaphthalene-1,3-disulfonate
SMILESO=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2ccc(I)cc2c1.[Na+].[Na+]
InChIInChI=1S/C10H7IO6S2.2Na/c11-7-1-2-9-6(3-7)4-8(18(12,13)14)5-10(9)19(15,16)17;;/h1-5H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2
InChIKeyVNKOVBSXQZWBNV-UHFFFAOYSA-L
MW458.16 g/mol
LogP-4.74
Rot. Bonds2

About disodium;6-iodonaphthalene-1,3-disulfonate

disodium;6-iodonaphthalene-1,3-disulfonate (PubChem CID 25229433) has the molecular formula C10H5INa2O6S2 and a molecular weight of 458.16 g/mol. Its IUPAC name is disodium;6-iodonaphthalene-1,3-disulfonate.

Molecular Properties

Compound Namedisodium;6-iodonaphthalene-1,3-disulfonate
PubChem CID25229433
Molecular FormulaC10H5INa2O6S2
Molecular Weight458.16 g/mol
Exact Mass457.84
IUPAC Namedisodium;6-iodonaphthalene-1,3-disulfonate
SMILESO=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2ccc(I)cc2c1.[Na+].[Na+]
InChIInChI=1S/C10H7IO6S2.2Na/c11-7-1-2-9-6(3-7)4-8(18(12,13)14)5-10(9)19(15,16)17;;/h1-5H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2
InChIKeyVNKOVBSXQZWBNV-UHFFFAOYSA-L
XLogP-4.74
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.16
LogP ≤ 5-4.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

dipotassium;6-aminonaphthalene-1,3-disulfonate
CID 2762591
disodium;6-borononaphthalene-1,3-disulfonate
CID 25229311
dipotassium;6-methoxynaphthalene-1,3-disulfonate
CID 167387667
disodium;naphthalene-1,6-disulfonate
CID 45358177
disodium;7-methylnaphthalene-1,3-disulfonate
CID 20739188
6-(furan-2-yl)naphthalene-1,3-disulfonate
CID 168525686
6-(1,3-dioxoisoindol-2-yl)naphthalene-1,3-disulfonate
CID 168517075
diazanium;7-aminonaphthalene-1,3,6-trisulfonate
CID 139595142
6,10-diiodophenanthrene-3-sulfonate
CID 177131226
trisodium;6H-anthracen-6-ide-1,3-disulfonate;sulfur trioxide
CID 159852601
disodium;4-(carbamoylamino)naphthalene-2,7-disulfonate
CID 87591191
indium(3+);tris(4-iodobenzenesulfonate)
CID 22604169

Frequently Asked Questions

What is the IUPAC name of disodium;6-iodonaphthalene-1,3-disulfonate?
The IUPAC name of disodium;6-iodonaphthalene-1,3-disulfonate (CID 25229433) is disodium;6-iodonaphthalene-1,3-disulfonate.
What is the SMILES notation for disodium;6-iodonaphthalene-1,3-disulfonate?
The canonical SMILES for disodium;6-iodonaphthalene-1,3-disulfonate is O=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2ccc(I)cc2c1.[Na+].[Na+].
What is the InChIKey of disodium;6-iodonaphthalene-1,3-disulfonate?
The InChIKey is VNKOVBSXQZWBNV-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H7IO6S2.2Na/c11-7-1-2-9-6(3-7)4-8(18(12,13)14)5-10(9)19(15,16)17;;/h1-5H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2.
What are the key properties of disodium;6-iodonaphthalene-1,3-disulfonate?
disodium;6-iodonaphthalene-1,3-disulfonate has a molecular weight of 458.16 g/mol, XLogP of -4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;6-iodonaphthalene-1,3-disulfonate is sourced from PubChem (CID 25229433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).