Sodium 4-quinolyl thiol

C9H7NNaS — CID 131747354

IUPAC—
SMILESS=c1cc[nH]c2ccccc12.[Na]
InChIInChI=1S/C9H7NS.Na/c11-9-5-6-10-8-4-2-1-3-7(8)9;/h1-6H,(H,10,11);
InChIKeyJBHMTNIAEYLBBD-UHFFFAOYSA-N
MW184.22 g/mol
LogP2.52
Rot. Bonds

About Sodium 4-quinolyl thiol

Sodium 4-quinolyl thiol (PubChem CID 131747354) has the molecular formula C9H7NNaS and a molecular weight of 184.22 g/mol.

Molecular Properties

Compound NameSodium 4-quinolyl thiol
PubChem CID131747354
Molecular FormulaC9H7NNaS
Molecular Weight184.22 g/mol
Exact Mass184.02
IUPAC Name—
SMILESS=c1cc[nH]c2ccccc12.[Na]
InChIInChI=1S/C9H7NS.Na/c11-9-5-6-10-8-4-2-1-3-7(8)9;/h1-6H,(H,10,11);
InChIKeyJBHMTNIAEYLBBD-UHFFFAOYSA-N
XLogP2.52
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-phenoxy-1H-quinoline-4-thione
CID 19075113
6-methyl-1H-quinoline-4-thione
CID 12621648
benzene;1H-quinolin-4-one
CID 175272043
7-propan-2-yl-1H-quinoline-4-thione
CID 19075128
1H-indol-4-ol
CID 102220556
1H-indol-4-amine;hydrochloride
CID 22461572
1H-indole;dihydrochloride
CID 18796541
7-piperazin-1-yl-1H-quinoline-4-thione
CID 19075055
cesium;1H-indole;hydroxide
CID 175329356
CID 174930358
CID 174930358
disodium;tris(1H-indole);sulfide
CID 67840647
CID 131858183
CID 131858183

Frequently Asked Questions

What is the IUPAC name of Sodium 4-quinolyl thiol?
The IUPAC name of Sodium 4-quinolyl thiol (CID 131747354) is not available.
What is the SMILES notation for Sodium 4-quinolyl thiol?
The canonical SMILES for Sodium 4-quinolyl thiol is S=c1cc[nH]c2ccccc12.[Na].
What is the InChIKey of Sodium 4-quinolyl thiol?
The InChIKey is JBHMTNIAEYLBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NS.Na/c11-9-5-6-10-8-4-2-1-3-7(8)9;/h1-6H,(H,10,11);.
What are the key properties of Sodium 4-quinolyl thiol?
Sodium 4-quinolyl thiol has a molecular weight of 184.22 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Sodium 4-quinolyl thiol is sourced from PubChem (CID 131747354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).