sodium 4-cyanonaphthalene-1-thiolate

C11H6NNaS — CID 118952468

IUPACsodium 4-cyanonaphthalene-1-thiolate
SMILESN#Cc1ccc([S-])c2ccccc12.[Na+]
InChIInChI=1S/C11H7NS.Na/c12-7-8-5-6-11(13)10-4-2-1-3-9(8)10;/h1-6,13H;/q;+1/p-1
InChIKeyFKURLQIISPSYMO-UHFFFAOYSA-M
MW207.23 g/mol
LogP-0.38
Rot. Bonds

About sodium 4-cyanonaphthalene-1-thiolate

sodium 4-cyanonaphthalene-1-thiolate (PubChem CID 118952468) has the molecular formula C11H6NNaS and a molecular weight of 207.23 g/mol. Its IUPAC name is sodium 4-cyanonaphthalene-1-thiolate.

Molecular Properties

Compound Namesodium 4-cyanonaphthalene-1-thiolate
PubChem CID118952468
Molecular FormulaC11H6NNaS
Molecular Weight207.23 g/mol
Exact Mass207.01
IUPAC Namesodium 4-cyanonaphthalene-1-thiolate
SMILESN#Cc1ccc([S-])c2ccccc12.[Na+]
InChIInChI=1S/C11H7NS.Na/c12-7-8-5-6-11(13)10-4-2-1-3-9(8)10;/h1-6,13H;/q;+1/p-1
InChIKeyFKURLQIISPSYMO-UHFFFAOYSA-M
XLogP-0.38
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 4-cyanonaphthalene-1-thiolate?
The IUPAC name of sodium 4-cyanonaphthalene-1-thiolate (CID 118952468) is sodium 4-cyanonaphthalene-1-thiolate.
What is the SMILES notation for sodium 4-cyanonaphthalene-1-thiolate?
The canonical SMILES for sodium 4-cyanonaphthalene-1-thiolate is N#Cc1ccc([S-])c2ccccc12.[Na+].
What is the InChIKey of sodium 4-cyanonaphthalene-1-thiolate?
The InChIKey is FKURLQIISPSYMO-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H7NS.Na/c12-7-8-5-6-11(13)10-4-2-1-3-9(8)10;/h1-6,13H;/q;+1/p-1.
What are the key properties of sodium 4-cyanonaphthalene-1-thiolate?
sodium 4-cyanonaphthalene-1-thiolate has a molecular weight of 207.23 g/mol, XLogP of -0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-cyanonaphthalene-1-thiolate is sourced from PubChem (CID 118952468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).