sodium;hydride;10H-phenothiazine-2-sulfonic acid

C12H10NNaO3S2 — CID 173344375

IUPACsodium;hydride;10H-phenothiazine-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc2c(c1)Nc1ccccc1S2.[H-].[Na+]
InChIInChI=1S/C12H9NO3S2.Na.H/c14-18(15,16)8-5-6-12-10(7-8)13-9-3-1-2-4-11(9)17-12;;/h1-7,13H,(H,14,15,16);;/q;+1;-1
InChIKeyPVDLEYROJKVXNG-UHFFFAOYSA-N
MW303.34 g/mol
LogP0.26
Rot. Bonds1

About sodium;hydride;10H-phenothiazine-2-sulfonic acid

sodium;hydride;10H-phenothiazine-2-sulfonic acid (PubChem CID 173344375) has the molecular formula C12H10NNaO3S2 and a molecular weight of 303.34 g/mol. Its IUPAC name is sodium;hydride;10H-phenothiazine-2-sulfonic acid.

Molecular Properties

Compound Namesodium;hydride;10H-phenothiazine-2-sulfonic acid
PubChem CID173344375
Molecular FormulaC12H10NNaO3S2
Molecular Weight303.34 g/mol
Exact Mass303.00
IUPAC Namesodium;hydride;10H-phenothiazine-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc2c(c1)Nc1ccccc1S2.[H-].[Na+]
InChIInChI=1S/C12H9NO3S2.Na.H/c14-18(15,16)8-5-6-12-10(7-8)13-9-3-1-2-4-11(9)17-12;;/h1-7,13H,(H,14,15,16);;/q;+1;-1
InChIKeyPVDLEYROJKVXNG-UHFFFAOYSA-N
XLogP0.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 50.26
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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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;10H-phenothiazine-2-sulfonic acid?
The IUPAC name of sodium;hydride;10H-phenothiazine-2-sulfonic acid (CID 173344375) is sodium;hydride;10H-phenothiazine-2-sulfonic acid.
What is the SMILES notation for sodium;hydride;10H-phenothiazine-2-sulfonic acid?
The canonical SMILES for sodium;hydride;10H-phenothiazine-2-sulfonic acid is O=S(=O)(O)c1ccc2c(c1)Nc1ccccc1S2.[H-].[Na+].
What is the InChIKey of sodium;hydride;10H-phenothiazine-2-sulfonic acid?
The InChIKey is PVDLEYROJKVXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3S2.Na.H/c14-18(15,16)8-5-6-12-10(7-8)13-9-3-1-2-4-11(9)17-12;;/h1-7,13H,(H,14,15,16);;/q;+1;-1.
What are the key properties of sodium;hydride;10H-phenothiazine-2-sulfonic acid?
sodium;hydride;10H-phenothiazine-2-sulfonic acid has a molecular weight of 303.34 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;10H-phenothiazine-2-sulfonic acid is sourced from PubChem (CID 173344375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).