2-NITROSO-1-NAPHTHOL-3,6-DISULFONIC ACID, DISODIUM SALT

C10H7NNa2O8S2 — CID 126959684

IUPAC—
SMILESO=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc2c1O.[Na].[Na]
InChIInChI=1S/C10H7NO8S2.2Na/c12-10-7-2-1-6(20(14,15)16)3-5(7)4-8(9(10)11-13)21(17,18)19;;/h1-4,12H,(H,14,15,16)(H,17,18,19);;
InChIKeyIOWPMGPEHSVBKA-UHFFFAOYSA-N
MW379.28 g/mol
LogP0.68
Rot. Bonds3

About 2-NITROSO-1-NAPHTHOL-3,6-DISULFONIC ACID, DISODIUM SALT

2-NITROSO-1-NAPHTHOL-3,6-DISULFONIC ACID, DISODIUM SALT (PubChem CID 126959684) has the molecular formula C10H7NNa2O8S2 and a molecular weight of 379.28 g/mol.

Molecular Properties

Compound Name2-NITROSO-1-NAPHTHOL-3,6-DISULFONIC ACID, DISODIUM SALT
PubChem CID126959684
Molecular FormulaC10H7NNa2O8S2
Molecular Weight379.28 g/mol
Exact Mass378.94
IUPAC Name—
SMILESO=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc2c1O.[Na].[Na]
InChIInChI=1S/C10H7NO8S2.2Na/c12-10-7-2-1-6(20(14,15)16)3-5(7)4-8(9(10)11-13)21(17,18)19;;/h1-4,12H,(H,14,15,16)(H,17,18,19);;
InChIKeyIOWPMGPEHSVBKA-UHFFFAOYSA-N
XLogP0.68
TPSA158.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-4-nitrosonaphthalene-2,7-disulfonic acid;hydrate
CID 155168760
4-hydroxy-3-[(2-hydroxy-5-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid
CID 163411937
3-[(5-amino-2-sulfophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
CID 135966889
6-hydroxy-5-nitrosonaphthalene-2-sulfonic acid;iron
CID 175582411
4-amino-3-hydroxynaphthalene-2,7-disulfonic acid
CID 16177
3-hydroxy-4-methylnaphthalene-2,7-disulfonic acid
CID 20736921
CID 137180855
CID 137180855
naphthalene-2,3,6-trisulfonic acid
CID 42609669
5-[(2-carboxy-5-sulfophenyl)diazenyl]-2-[(1-hydroxy-3,6-disulfonaphthalen-2-yl)diazenyl]benzoic acid
CID 136640610
disodium;3-[(2,4-dinitrophenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
CID 137140608
4-[(4-tert-butylphenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid
CID 136912425
1,3-dihydroxynaphthalene-2,6-disulfonic acid
CID 6365319

Frequently Asked Questions

What is the IUPAC name of 2-NITROSO-1-NAPHTHOL-3,6-DISULFONIC ACID, DISODIUM SALT?
The IUPAC name of 2-NITROSO-1-NAPHTHOL-3,6-DISULFONIC ACID, DISODIUM SALT (CID 126959684) is not available.
What is the SMILES notation for 2-NITROSO-1-NAPHTHOL-3,6-DISULFONIC ACID, DISODIUM SALT?
The canonical SMILES for 2-NITROSO-1-NAPHTHOL-3,6-DISULFONIC ACID, DISODIUM SALT is O=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc2c1O.[Na].[Na].
What is the InChIKey of 2-NITROSO-1-NAPHTHOL-3,6-DISULFONIC ACID, DISODIUM SALT?
The InChIKey is IOWPMGPEHSVBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO8S2.2Na/c12-10-7-2-1-6(20(14,15)16)3-5(7)4-8(9(10)11-13)21(17,18)19;;/h1-4,12H,(H,14,15,16)(H,17,18,19);;.
What are the key properties of 2-NITROSO-1-NAPHTHOL-3,6-DISULFONIC ACID, DISODIUM SALT?
2-NITROSO-1-NAPHTHOL-3,6-DISULFONIC ACID, DISODIUM SALT has a molecular weight of 379.28 g/mol, XLogP of 0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-NITROSO-1-NAPHTHOL-3,6-DISULFONIC ACID, DISODIUM SALT is sourced from PubChem (CID 126959684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).