sodium 4-amino-5-hydroxynaphthalene-1-sulfinate

C10H8NNaO3S — CID 140800461

IUPACsodium 4-amino-5-hydroxynaphthalene-1-sulfinate
SMILESNc1ccc(S(=O)[O-])c2cccc(O)c12.[Na+]
InChIInChI=1S/C10H9NO3S.Na/c11-7-4-5-9(15(13)14)6-2-1-3-8(12)10(6)7;/h1-5,12H,11H2,(H,13,14);/q;+1/p-1
InChIKeyJMWNAYRFHPOBBO-UHFFFAOYSA-M
MW245.24 g/mol
LogP-1.63
Rot. Bonds1

About sodium 4-amino-5-hydroxynaphthalene-1-sulfinate

sodium 4-amino-5-hydroxynaphthalene-1-sulfinate (PubChem CID 140800461) has the molecular formula C10H8NNaO3S and a molecular weight of 245.24 g/mol. Its IUPAC name is sodium 4-amino-5-hydroxynaphthalene-1-sulfinate.

Molecular Properties

Compound Namesodium 4-amino-5-hydroxynaphthalene-1-sulfinate
PubChem CID140800461
Molecular FormulaC10H8NNaO3S
Molecular Weight245.24 g/mol
Exact Mass245.01
IUPAC Namesodium 4-amino-5-hydroxynaphthalene-1-sulfinate
SMILESNc1ccc(S(=O)[O-])c2cccc(O)c12.[Na+]
InChIInChI=1S/C10H9NO3S.Na/c11-7-4-5-9(15(13)14)6-2-1-3-8(12)10(6)7;/h1-5,12H,11H2,(H,13,14);/q;+1/p-1
InChIKeyJMWNAYRFHPOBBO-UHFFFAOYSA-M
XLogP-1.63
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 5-1.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium 4-amino-5-hydroxynaphthalene-1-sulfonate
CID 165020486
2,5-diaminobenzenesulfinate
CID 57291040
6-diazonio-5-hydroxynaphthalene-1-sulfinate
CID 97049891
8-amino-4-bromonaphthalene-1-sulfinic acid
CID 163258806
sodium 4-aminonaphthalene-1,5-disulfonic acid
CID 126465863
hydrogen sulfite;naphthalen-1-amine
CID 174331156
3-amino-1,4-dihydroxynaphthalene-2-sulfinate
CID 148794117
phenanthrene-1-sulfinate
CID 57162445
disodium;2-oxo-1H-benzo[cd]indole-6,8-disulfinate
CID 18552939
4-amino-5-hydroxynaphthalene-1,7-disulfonic acid;5-amino-4-hydroxynaphthalene-2-sulfonic acid;sulfur trioxide
CID 158624379
3-amino-2,4-dihydroxynaphthalene-1-sulfinate
CID 171396608
2-amino-4-fluorobenzenesulfinate
CID 174459431

Frequently Asked Questions

What is the IUPAC name of sodium 4-amino-5-hydroxynaphthalene-1-sulfinate?
The IUPAC name of sodium 4-amino-5-hydroxynaphthalene-1-sulfinate (CID 140800461) is sodium 4-amino-5-hydroxynaphthalene-1-sulfinate.
What is the SMILES notation for sodium 4-amino-5-hydroxynaphthalene-1-sulfinate?
The canonical SMILES for sodium 4-amino-5-hydroxynaphthalene-1-sulfinate is Nc1ccc(S(=O)[O-])c2cccc(O)c12.[Na+].
What is the InChIKey of sodium 4-amino-5-hydroxynaphthalene-1-sulfinate?
The InChIKey is JMWNAYRFHPOBBO-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9NO3S.Na/c11-7-4-5-9(15(13)14)6-2-1-3-8(12)10(6)7;/h1-5,12H,11H2,(H,13,14);/q;+1/p-1.
What are the key properties of sodium 4-amino-5-hydroxynaphthalene-1-sulfinate?
sodium 4-amino-5-hydroxynaphthalene-1-sulfinate has a molecular weight of 245.24 g/mol, XLogP of -1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-amino-5-hydroxynaphthalene-1-sulfinate is sourced from PubChem (CID 140800461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).