sodium;hydride;(4-hydroxynaphthalen-1-yl)sulfanylformic acid

C11H9NaO3S — CID 174459898

IUPACsodium;hydride;(4-hydroxynaphthalen-1-yl)sulfanylformic acid
SMILESO=C(O)Sc1ccc(O)c2ccccc12.[H-].[Na+]
InChIInChI=1S/C11H8O3S.Na.H/c12-9-5-6-10(15-11(13)14)8-4-2-1-3-7(8)9;;/h1-6,12H,(H,13,14);;/q;+1;-1
InChIKeyIUZMZZVXQBMUHR-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.43
Rot. Bonds1

About sodium;hydride;(4-hydroxynaphthalen-1-yl)sulfanylformic acid

sodium;hydride;(4-hydroxynaphthalen-1-yl)sulfanylformic acid (PubChem CID 174459898) has the molecular formula C11H9NaO3S and a molecular weight of 244.25 g/mol. Its IUPAC name is sodium;hydride;(4-hydroxynaphthalen-1-yl)sulfanylformic acid.

Molecular Properties

Compound Namesodium;hydride;(4-hydroxynaphthalen-1-yl)sulfanylformic acid
PubChem CID174459898
Molecular FormulaC11H9NaO3S
Molecular Weight244.25 g/mol
Exact Mass244.02
IUPAC Namesodium;hydride;(4-hydroxynaphthalen-1-yl)sulfanylformic acid
SMILESO=C(O)Sc1ccc(O)c2ccccc12.[H-].[Na+]
InChIInChI=1S/C11H8O3S.Na.H/c12-9-5-6-10(15-11(13)14)8-4-2-1-3-7(8)9;;/h1-6,12H,(H,13,14);;/q;+1;-1
InChIKeyIUZMZZVXQBMUHR-UHFFFAOYSA-N
XLogP0.43
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;(4-hydroxynaphthalen-1-yl)sulfanylformic acid?
The IUPAC name of sodium;hydride;(4-hydroxynaphthalen-1-yl)sulfanylformic acid (CID 174459898) is sodium;hydride;(4-hydroxynaphthalen-1-yl)sulfanylformic acid.
What is the SMILES notation for sodium;hydride;(4-hydroxynaphthalen-1-yl)sulfanylformic acid?
The canonical SMILES for sodium;hydride;(4-hydroxynaphthalen-1-yl)sulfanylformic acid is O=C(O)Sc1ccc(O)c2ccccc12.[H-].[Na+].
What is the InChIKey of sodium;hydride;(4-hydroxynaphthalen-1-yl)sulfanylformic acid?
The InChIKey is IUZMZZVXQBMUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O3S.Na.H/c12-9-5-6-10(15-11(13)14)8-4-2-1-3-7(8)9;;/h1-6,12H,(H,13,14);;/q;+1;-1.
What are the key properties of sodium;hydride;(4-hydroxynaphthalen-1-yl)sulfanylformic acid?
sodium;hydride;(4-hydroxynaphthalen-1-yl)sulfanylformic acid has a molecular weight of 244.25 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;(4-hydroxynaphthalen-1-yl)sulfanylformic acid is sourced from PubChem (CID 174459898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).