sodium;sulfanide;toluene

C7H9NaS — CID 174811836

IUPACsodium;sulfanide;toluene
SMILESCc1ccccc1.[Na+].[SH-]
InChIInChI=1S/C7H8.Na.H2S/c1-7-5-3-2-4-6-7;;/h2-6H,1H3;;1H2/q;+1;/p-1
InChIKeyZDWVEVDHQPMYBD-UHFFFAOYSA-M
MW148.21 g/mol
LogP-1.27
Rot. Bonds

About sodium;sulfanide;toluene

sodium;sulfanide;toluene (PubChem CID 174811836) has the molecular formula C7H9NaS and a molecular weight of 148.21 g/mol. Its IUPAC name is sodium;sulfanide;toluene.

Molecular Properties

Compound Namesodium;sulfanide;toluene
PubChem CID174811836
Molecular FormulaC7H9NaS
Molecular Weight148.21 g/mol
Exact Mass148.03
IUPAC Namesodium;sulfanide;toluene
SMILESCc1ccccc1.[Na+].[SH-]
InChIInChI=1S/C7H8.Na.H2S/c1-7-5-3-2-4-6-7;;/h2-6H,1H3;;1H2/q;+1;/p-1
InChIKeyZDWVEVDHQPMYBD-UHFFFAOYSA-M
XLogP-1.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 5-1.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;sulfanide;toluene?
The IUPAC name of sodium;sulfanide;toluene (CID 174811836) is sodium;sulfanide;toluene.
What is the SMILES notation for sodium;sulfanide;toluene?
The canonical SMILES for sodium;sulfanide;toluene is Cc1ccccc1.[Na+].[SH-].
What is the InChIKey of sodium;sulfanide;toluene?
The InChIKey is ZDWVEVDHQPMYBD-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8.Na.H2S/c1-7-5-3-2-4-6-7;;/h2-6H,1H3;;1H2/q;+1;/p-1.
What are the key properties of sodium;sulfanide;toluene?
sodium;sulfanide;toluene has a molecular weight of 148.21 g/mol, XLogP of -1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;sulfanide;toluene is sourced from PubChem (CID 174811836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).