1,6-NAPHTHALENEDISULFONIC ACID, DISODIUM SALT DIHYDRATE

C10H12Na2O8S2 — CID 126960168

IUPAC—
SMILESO.O.O=S(=O)(O)c1ccc2c(S(=O)(=O)O)cccc2c1.[Na].[Na]
InChIInChI=1S/C10H8O6S2.2Na.2H2O/c11-17(12,13)8-4-5-9-7(6-8)2-1-3-10(9)18(14,15)16;;;;/h1-6H,(H,11,12,13)(H,14,15,16);;;2*1H2
InChIKeyCVKYRNOTWZWGOG-UHFFFAOYSA-N
MW370.31 g/mol
LogP-1.08
Rot. Bonds2

About 1,6-NAPHTHALENEDISULFONIC ACID, DISODIUM SALT DIHYDRATE

1,6-NAPHTHALENEDISULFONIC ACID, DISODIUM SALT DIHYDRATE (PubChem CID 126960168) has the molecular formula C10H12Na2O8S2 and a molecular weight of 370.31 g/mol.

Molecular Properties

Compound Name1,6-NAPHTHALENEDISULFONIC ACID, DISODIUM SALT DIHYDRATE
PubChem CID126960168
Molecular FormulaC10H12Na2O8S2
Molecular Weight370.31 g/mol
Exact Mass369.98
IUPAC Name—
SMILESO.O.O=S(=O)(O)c1ccc2c(S(=O)(=O)O)cccc2c1.[Na].[Na]
InChIInChI=1S/C10H8O6S2.2Na.2H2O/c11-17(12,13)8-4-5-9-7(6-8)2-1-3-10(9)18(14,15)16;;;;/h1-6H,(H,11,12,13)(H,14,15,16);;;2*1H2
InChIKeyCVKYRNOTWZWGOG-UHFFFAOYSA-N
XLogP-1.08
TPSA171.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;naphthalene-1,7-disulfonic acid
CID 173344395
5-(6-sulfonaphthalen-1-yl)oxynaphthalene-2-sulfonic acid
CID 174648265
lithium;hydride;naphthalene-1-sulfonic acid;hydrate
CID 173436914
3-(6-sulfonaphthalen-1-yl)naphthalene-1-sulfonic acid
CID 91488556
naphthalene-1-sulfonic acid
CID 158712346
magnesium;5-aminonaphthalene-2-sulfonic acid;hydride
CID 175063134
CID 87599032
CID 87599032
CID 87877281
CID 87877281
naphthalene-2,3,6-trisulfonic acid
CID 42609669
aluminum naphthalene-1-sulfonic acid
CID 19753639
5-methylsulfanylnaphthalene-2-sulfonic acid
CID 6611028
8-[(6-sulfonaphthalen-1-yl)methyl]naphthalene-2-sulfonic acid
CID 22833442

Frequently Asked Questions

What is the IUPAC name of 1,6-NAPHTHALENEDISULFONIC ACID, DISODIUM SALT DIHYDRATE?
The IUPAC name of 1,6-NAPHTHALENEDISULFONIC ACID, DISODIUM SALT DIHYDRATE (CID 126960168) is not available.
What is the SMILES notation for 1,6-NAPHTHALENEDISULFONIC ACID, DISODIUM SALT DIHYDRATE?
The canonical SMILES for 1,6-NAPHTHALENEDISULFONIC ACID, DISODIUM SALT DIHYDRATE is O.O.O=S(=O)(O)c1ccc2c(S(=O)(=O)O)cccc2c1.[Na].[Na].
What is the InChIKey of 1,6-NAPHTHALENEDISULFONIC ACID, DISODIUM SALT DIHYDRATE?
The InChIKey is CVKYRNOTWZWGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O6S2.2Na.2H2O/c11-17(12,13)8-4-5-9-7(6-8)2-1-3-10(9)18(14,15)16;;;;/h1-6H,(H,11,12,13)(H,14,15,16);;;2*1H2.
What are the key properties of 1,6-NAPHTHALENEDISULFONIC ACID, DISODIUM SALT DIHYDRATE?
1,6-NAPHTHALENEDISULFONIC ACID, DISODIUM SALT DIHYDRATE has a molecular weight of 370.31 g/mol, XLogP of -1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-NAPHTHALENEDISULFONIC ACID, DISODIUM SALT DIHYDRATE is sourced from PubChem (CID 126960168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).