sodium;hydride;4-methoxybenzenethiol;sulfuric acid

C7H11NaO5S2 — CID 174920151

IUPACsodium;hydride;4-methoxybenzenethiol;sulfuric acid
SMILESCOc1ccc(S)cc1.O=S(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C7H8OS.Na.H2O4S.H/c1-8-6-2-4-7(9)5-3-6;;1-5(2,3)4;/h2-5,9H,1H3;;(H2,1,2,3,4);/q;+1;;-1
InChIKeyOSUMMYRVHKTLON-UHFFFAOYSA-N
MW262.28 g/mol
LogP-1.55
Rot. Bonds1

About sodium;hydride;4-methoxybenzenethiol;sulfuric acid

sodium;hydride;4-methoxybenzenethiol;sulfuric acid (PubChem CID 174920151) has the molecular formula C7H11NaO5S2 and a molecular weight of 262.28 g/mol. Its IUPAC name is sodium;hydride;4-methoxybenzenethiol;sulfuric acid.

Molecular Properties

Compound Namesodium;hydride;4-methoxybenzenethiol;sulfuric acid
PubChem CID174920151
Molecular FormulaC7H11NaO5S2
Molecular Weight262.28 g/mol
Exact Mass261.99
IUPAC Namesodium;hydride;4-methoxybenzenethiol;sulfuric acid
SMILESCOc1ccc(S)cc1.O=S(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C7H8OS.Na.H2O4S.H/c1-8-6-2-4-7(9)5-3-6;;1-5(2,3)4;/h2-5,9H,1H3;;(H2,1,2,3,4);/q;+1;;-1
InChIKeyOSUMMYRVHKTLON-UHFFFAOYSA-N
XLogP-1.55
TPSA83.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;4-methoxybenzenethiol;sulfuric acid?
The IUPAC name of sodium;hydride;4-methoxybenzenethiol;sulfuric acid (CID 174920151) is sodium;hydride;4-methoxybenzenethiol;sulfuric acid.
What is the SMILES notation for sodium;hydride;4-methoxybenzenethiol;sulfuric acid?
The canonical SMILES for sodium;hydride;4-methoxybenzenethiol;sulfuric acid is COc1ccc(S)cc1.O=S(=O)(O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;4-methoxybenzenethiol;sulfuric acid?
The InChIKey is OSUMMYRVHKTLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8OS.Na.H2O4S.H/c1-8-6-2-4-7(9)5-3-6;;1-5(2,3)4;/h2-5,9H,1H3;;(H2,1,2,3,4);/q;+1;;-1.
What are the key properties of sodium;hydride;4-methoxybenzenethiol;sulfuric acid?
sodium;hydride;4-methoxybenzenethiol;sulfuric acid has a molecular weight of 262.28 g/mol, XLogP of -1.55, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;4-methoxybenzenethiol;sulfuric acid is sourced from PubChem (CID 174920151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).