sodium;hydride;8-phenylnaphthalene-2-sulfinic acid

C16H13NaO2S — CID 173441375

IUPACsodium;hydride;8-phenylnaphthalene-2-sulfinic acid
SMILESO=S(O)c1ccc2cccc(-c3ccccc3)c2c1.[H-].[Na+]
InChIInChI=1S/C16H12O2S.Na.H/c17-19(18)14-10-9-13-7-4-8-15(16(13)11-14)12-5-2-1-3-6-12;;/h1-11H,(H,17,18);;/q;+1;-1
InChIKeyYFTSOJJIZIHURY-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.20
Rot. Bonds2

About sodium;hydride;8-phenylnaphthalene-2-sulfinic acid

sodium;hydride;8-phenylnaphthalene-2-sulfinic acid (PubChem CID 173441375) has the molecular formula C16H13NaO2S and a molecular weight of 292.33 g/mol. Its IUPAC name is sodium;hydride;8-phenylnaphthalene-2-sulfinic acid.

Molecular Properties

Compound Namesodium;hydride;8-phenylnaphthalene-2-sulfinic acid
PubChem CID173441375
Molecular FormulaC16H13NaO2S
Molecular Weight292.33 g/mol
Exact Mass292.05
IUPAC Namesodium;hydride;8-phenylnaphthalene-2-sulfinic acid
SMILESO=S(O)c1ccc2cccc(-c3ccccc3)c2c1.[H-].[Na+]
InChIInChI=1S/C16H12O2S.Na.H/c17-19(18)14-10-9-13-7-4-8-15(16(13)11-14)12-5-2-1-3-6-12;;/h1-11H,(H,17,18);;/q;+1;-1
InChIKeyYFTSOJJIZIHURY-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;5-phenylnaphthalene-1-sulfinic acid
CID 173440733
11-phenylbenzo[a]anthracene
CID 123665695
sodium;9,10-dioxoanthracene-2-sulfinic acid;hydride
CID 173405100
5-phenylnaphthalene-2,3-diol
CID 21407140
hydron;1-phenylanthracene
CID 174351162
9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837308
2,4-diphenyl-6-[4-[7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 121258017
3-[2-(aminomethyl)phenyl]benzenesulfinic acid
CID 174661074
(2-phenylanthracen-1-yl) hydrogen sulfite
CID 56982986
4-benzo[a]anthracen-11-yl-11-(11-benzo[a]anthracen-11-ylbenzo[a]anthracen-4-yl)benzo[a]anthracene;4-naphthalen-1-yl-11-[4-[4-(4-naphthalen-1-ylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene;4-phenyl-11-[4-[4-(4-phenylbenzo[a]anthracen-11-yl)benzo[a]anthracen-11-yl]benzo[a]anthracen-11-yl]benzo[a]anthracene
CID 159785765
5-phenylnaphthalene-2,3-diamine
CID 70378591
azane;tricyclo[4.4.0.02,9]deca-1(6),2,4,7,9-pentaene
CID 19797807

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;8-phenylnaphthalene-2-sulfinic acid?
The IUPAC name of sodium;hydride;8-phenylnaphthalene-2-sulfinic acid (CID 173441375) is sodium;hydride;8-phenylnaphthalene-2-sulfinic acid.
What is the SMILES notation for sodium;hydride;8-phenylnaphthalene-2-sulfinic acid?
The canonical SMILES for sodium;hydride;8-phenylnaphthalene-2-sulfinic acid is O=S(O)c1ccc2cccc(-c3ccccc3)c2c1.[H-].[Na+].
What is the InChIKey of sodium;hydride;8-phenylnaphthalene-2-sulfinic acid?
The InChIKey is YFTSOJJIZIHURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2S.Na.H/c17-19(18)14-10-9-13-7-4-8-15(16(13)11-14)12-5-2-1-3-6-12;;/h1-11H,(H,17,18);;/q;+1;-1.
What are the key properties of sodium;hydride;8-phenylnaphthalene-2-sulfinic acid?
sodium;hydride;8-phenylnaphthalene-2-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;8-phenylnaphthalene-2-sulfinic acid is sourced from PubChem (CID 173441375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).