6,7-diiodonaphthalene-2-sulfonate

C10H5I2O3S- — CID 177131444

IUPAC6,7-diiodonaphthalene-2-sulfonate
SMILESO=S(=O)([O-])c1ccc2cc(I)c(I)cc2c1
InChIInChI=1S/C10H6I2O3S/c11-9-4-6-1-2-8(16(13,14)15)3-7(6)5-10(9)12/h1-5H,(H,13,14,15)/p-1
InChIKeyHHNUWUCRWZYGJB-UHFFFAOYSA-M
MW459.02 g/mol
LogP2.95
Rot. Bonds1

About 6,7-diiodonaphthalene-2-sulfonate

6,7-diiodonaphthalene-2-sulfonate (PubChem CID 177131444) has the molecular formula C10H5I2O3S- and a molecular weight of 459.02 g/mol. Its IUPAC name is 6,7-diiodonaphthalene-2-sulfonate.

Molecular Properties

Compound Name6,7-diiodonaphthalene-2-sulfonate
PubChem CID177131444
Molecular FormulaC10H5I2O3S-
Molecular Weight459.02 g/mol
Exact Mass458.81
IUPAC Name6,7-diiodonaphthalene-2-sulfonate
SMILESO=S(=O)([O-])c1ccc2cc(I)c(I)cc2c1
InChIInChI=1S/C10H6I2O3S/c11-9-4-6-1-2-8(16(13,14)15)3-7(6)5-10(9)12/h1-5H,(H,13,14,15)/p-1
InChIKeyHHNUWUCRWZYGJB-UHFFFAOYSA-M
XLogP2.95
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.02
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

potassium 6,7-dimethylnaphthalene-2-sulfonate
CID 101323807
bis(diaminomethylideneazanium);naphthalene-2,6-disulfonate
CID 142698795
6,7-dimethoxynaphthalene-2-sulfonate
CID 18415261
potassium 6-hydroxynaphthalene-2-sulfonate
CID 23677963
hexakis(ethane-1,2-diamine);bis(naphthalene-2,6-disulfonate);bis(nickel(2+));dihydrate
CID 139066976
6,10-diiodophenanthrene-3-sulfonate
CID 177131226
sodium 7-hydroxynaphthalene-2-sulfonate
CID 23667647
sodium 6,7-dipropylnaphthalene-2-sulfonate
CID 101324973
dilithium;7-sulfinatoanthracene-2-sulfonate;hydroxide
CID 58463001
disodium;6-oxido-7-sulfonaphthalene-2-sulfonate
CID 101310177
sodium 6-ethylnaphthalene-2-sulfonate
CID 101315129
dilithium;6-sulfinatonaphthalene-2-sulfonate;hydroxide
CID 58462977

Frequently Asked Questions

What is the IUPAC name of 6,7-diiodonaphthalene-2-sulfonate?
The IUPAC name of 6,7-diiodonaphthalene-2-sulfonate (CID 177131444) is 6,7-diiodonaphthalene-2-sulfonate.
What is the SMILES notation for 6,7-diiodonaphthalene-2-sulfonate?
The canonical SMILES for 6,7-diiodonaphthalene-2-sulfonate is O=S(=O)([O-])c1ccc2cc(I)c(I)cc2c1.
What is the InChIKey of 6,7-diiodonaphthalene-2-sulfonate?
The InChIKey is HHNUWUCRWZYGJB-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H6I2O3S/c11-9-4-6-1-2-8(16(13,14)15)3-7(6)5-10(9)12/h1-5H,(H,13,14,15)/p-1.
What are the key properties of 6,7-diiodonaphthalene-2-sulfonate?
6,7-diiodonaphthalene-2-sulfonate has a molecular weight of 459.02 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diiodonaphthalene-2-sulfonate is sourced from PubChem (CID 177131444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).