sodium;hydride;5-phenylnaphthalene-1-sulfinic acid

C16H13NaO2S — CID 173440733

IUPACsodium;hydride;5-phenylnaphthalene-1-sulfinic acid
SMILESO=S(O)c1cccc2c(-c3ccccc3)cccc12.[H-].[Na+]
InChIInChI=1S/C16H12O2S.Na.H/c17-19(18)16-11-5-9-14-13(8-4-10-15(14)16)12-6-2-1-3-7-12;;/h1-11H,(H,17,18);;/q;+1;-1
InChIKeyGQDMBAJENVQWNZ-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.20
Rot. Bonds2

About sodium;hydride;5-phenylnaphthalene-1-sulfinic acid

sodium;hydride;5-phenylnaphthalene-1-sulfinic acid (PubChem CID 173440733) has the molecular formula C16H13NaO2S and a molecular weight of 292.33 g/mol. Its IUPAC name is sodium;hydride;5-phenylnaphthalene-1-sulfinic acid.

Molecular Properties

Compound Namesodium;hydride;5-phenylnaphthalene-1-sulfinic acid
PubChem CID173440733
Molecular FormulaC16H13NaO2S
Molecular Weight292.33 g/mol
Exact Mass292.05
IUPAC Namesodium;hydride;5-phenylnaphthalene-1-sulfinic acid
SMILESO=S(O)c1cccc2c(-c3ccccc3)cccc12.[H-].[Na+]
InChIInChI=1S/C16H12O2S.Na.H/c17-19(18)16-11-5-9-14-13(8-4-10-15(14)16)12-6-2-1-3-7-12;;/h1-11H,(H,17,18);;/q;+1;-1
InChIKeyGQDMBAJENVQWNZ-UHFFFAOYSA-N
XLogP1.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;8-phenylnaphthalene-2-sulfinic acid
CID 173441375
2-(oxiran-2-yl)-3-phenylbenzenesulfinic acid
CID 174414424
benzene-1,2-disulfinic acid
CID 19813698
3-phenylbenzene-1,2-diol;sulfurous acid
CID 174366785
2-methoxy-1,3-diphenylbenzene
CID 23524590
acridine-1-sulfinic acid
CID 91240554
2-phenyl-4-(trifluoromethyl)benzenesulfinic acid
CID 174890866
9-(2,6-diphenylphenyl)-10-[10-(2,6-diphenylphenyl)anthracen-9-yl]anthracene
CID 140754619
5-phenylnaphthalene-2,3-diol
CID 21407140
sodium;2-ethenylbenzenesulfinic acid;hydride
CID 174388285
1-phenyl-2-[(S)-trifluoromethylsulfinyl]benzene
CID 86318903
7,17,27-tris(4-phenylphenyl)heptacyclo[20.8.0.02,11.03,8.012,21.013,18.023,28]triaconta-1,3(8),4,6,9,11,13(18),14,16,19,21,23(28),24,26,29-pentadecaene
CID 139812806

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;5-phenylnaphthalene-1-sulfinic acid?
The IUPAC name of sodium;hydride;5-phenylnaphthalene-1-sulfinic acid (CID 173440733) is sodium;hydride;5-phenylnaphthalene-1-sulfinic acid.
What is the SMILES notation for sodium;hydride;5-phenylnaphthalene-1-sulfinic acid?
The canonical SMILES for sodium;hydride;5-phenylnaphthalene-1-sulfinic acid is O=S(O)c1cccc2c(-c3ccccc3)cccc12.[H-].[Na+].
What is the InChIKey of sodium;hydride;5-phenylnaphthalene-1-sulfinic acid?
The InChIKey is GQDMBAJENVQWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2S.Na.H/c17-19(18)16-11-5-9-14-13(8-4-10-15(14)16)12-6-2-1-3-7-12;;/h1-11H,(H,17,18);;/q;+1;-1.
What are the key properties of sodium;hydride;5-phenylnaphthalene-1-sulfinic acid?
sodium;hydride;5-phenylnaphthalene-1-sulfinic acid has a molecular weight of 292.33 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;5-phenylnaphthalene-1-sulfinic acid is sourced from PubChem (CID 173440733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).