sodium;hydride;2-(4-methylphenyl)benzenethiol

C13H13NaS — CID 175197737

IUPACsodium;hydride;2-(4-methylphenyl)benzenethiol
SMILESCc1ccc(-c2ccccc2S)cc1.[H-].[Na+]
InChIInChI=1S/C13H12S.Na.H/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14;;/h2-9,14H,1H3;;/q;+1;-1
InChIKeyJBBNKBDGTUVSFJ-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.07
Rot. Bonds1

About sodium;hydride;2-(4-methylphenyl)benzenethiol

sodium;hydride;2-(4-methylphenyl)benzenethiol (PubChem CID 175197737) has the molecular formula C13H13NaS and a molecular weight of 224.30 g/mol. Its IUPAC name is sodium;hydride;2-(4-methylphenyl)benzenethiol.

Molecular Properties

Compound Namesodium;hydride;2-(4-methylphenyl)benzenethiol
PubChem CID175197737
Molecular FormulaC13H13NaS
Molecular Weight224.30 g/mol
Exact Mass224.06
IUPAC Namesodium;hydride;2-(4-methylphenyl)benzenethiol
SMILESCc1ccc(-c2ccccc2S)cc1.[H-].[Na+]
InChIInChI=1S/C13H12S.Na.H/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14;;/h2-9,14H,1H3;;/q;+1;-1
InChIKeyJBBNKBDGTUVSFJ-UHFFFAOYSA-N
XLogP1.07
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-(4-methylphenyl)benzenethiol?
The IUPAC name of sodium;hydride;2-(4-methylphenyl)benzenethiol (CID 175197737) is sodium;hydride;2-(4-methylphenyl)benzenethiol.
What is the SMILES notation for sodium;hydride;2-(4-methylphenyl)benzenethiol?
The canonical SMILES for sodium;hydride;2-(4-methylphenyl)benzenethiol is Cc1ccc(-c2ccccc2S)cc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-(4-methylphenyl)benzenethiol?
The InChIKey is JBBNKBDGTUVSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12S.Na.H/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14;;/h2-9,14H,1H3;;/q;+1;-1.
What are the key properties of sodium;hydride;2-(4-methylphenyl)benzenethiol?
sodium;hydride;2-(4-methylphenyl)benzenethiol has a molecular weight of 224.30 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-(4-methylphenyl)benzenethiol is sourced from PubChem (CID 175197737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).