nickel;quinoline-3-thiol;sulfanide

C9H8NNiS2- — CID 175270394

IUPACnickel;quinoline-3-thiol;sulfanide
SMILESSc1cnc2ccccc2c1.[Ni].[SH-]
InChIInChI=1S/C9H7NS.Ni.H2S/c11-8-5-7-3-1-2-4-9(7)10-6-8;;/h1-6,11H;;1H2/p-1
InChIKeyVMNSLOOGDXWSBX-UHFFFAOYSA-M
MW253.00 g/mol
LogP2.25
Rot. Bonds

About nickel;quinoline-3-thiol;sulfanide

nickel;quinoline-3-thiol;sulfanide (PubChem CID 175270394) has the molecular formula C9H8NNiS2- and a molecular weight of 253.00 g/mol. Its IUPAC name is nickel;quinoline-3-thiol;sulfanide.

Molecular Properties

Compound Namenickel;quinoline-3-thiol;sulfanide
PubChem CID175270394
Molecular FormulaC9H8NNiS2-
Molecular Weight253.00 g/mol
Exact Mass251.95
IUPAC Namenickel;quinoline-3-thiol;sulfanide
SMILESSc1cnc2ccccc2c1.[Ni].[SH-]
InChIInChI=1S/C9H7NS.Ni.H2S/c11-8-5-7-3-1-2-4-9(7)10-6-8;;/h1-6,11H;;1H2/p-1
InChIKeyVMNSLOOGDXWSBX-UHFFFAOYSA-M
XLogP2.25
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.00
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 174439431
CID 174439431
3-bromoquinoline;hydrobromide
CID 70190019
2-quinolin-3-ylguanidine
CID 59852075
N-quinolin-3-ylhydroxylamine
CID 54286324
1-quinolin-3-ylethene-1,2-dithiol
CID 72543184
1,8-naphthyridine-3,6-dithiol
CID 175577411
ethane;molecular hydrogen;quinolin-3-amine
CID 145187853
3-pyridin-4-ylquinoline
CID 10081720
1-quinolin-3-ylbut-3-en-1-ol
CID 77273716
phenanthridine
CID 9189
5-quinolin-3-ylpyrazin-2-amine
CID 29188711
acridine
CID 21226281

Frequently Asked Questions

What is the IUPAC name of nickel;quinoline-3-thiol;sulfanide?
The IUPAC name of nickel;quinoline-3-thiol;sulfanide (CID 175270394) is nickel;quinoline-3-thiol;sulfanide.
What is the SMILES notation for nickel;quinoline-3-thiol;sulfanide?
The canonical SMILES for nickel;quinoline-3-thiol;sulfanide is Sc1cnc2ccccc2c1.[Ni].[SH-].
What is the InChIKey of nickel;quinoline-3-thiol;sulfanide?
The InChIKey is VMNSLOOGDXWSBX-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H7NS.Ni.H2S/c11-8-5-7-3-1-2-4-9(7)10-6-8;;/h1-6,11H;;1H2/p-1.
What are the key properties of nickel;quinoline-3-thiol;sulfanide?
nickel;quinoline-3-thiol;sulfanide has a molecular weight of 253.00 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;quinoline-3-thiol;sulfanide is sourced from PubChem (CID 175270394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).