2-(3H-1-benzothiophen-3-id-2-yl)pyridine;carbanide;platinum

C15H14NPtS-3 — CID 21044181

IUPAC2-(3H-1-benzothiophen-3-id-2-yl)pyridine;carbanide;platinum
SMILES[CH3-].[CH3-].[Pt].[c-]1c(-c2ccccn2)sc2ccccc12
InChIInChI=1S/C13H8NS.2CH3.Pt/c1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;;;/h1-8H;2*1H3;/q3*-1;
InChIKeyMVZQBDRFZVCKGW-UHFFFAOYSA-N
MW435.43 g/mol
LogP4.66
Rot. Bonds1

About 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;carbanide;platinum

2-(3H-1-benzothiophen-3-id-2-yl)pyridine;carbanide;platinum (PubChem CID 21044181) has the molecular formula C15H14NPtS-3 and a molecular weight of 435.43 g/mol. Its IUPAC name is 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;carbanide;platinum.

Molecular Properties

Compound Name2-(3H-1-benzothiophen-3-id-2-yl)pyridine;carbanide;platinum
PubChem CID21044181
Molecular FormulaC15H14NPtS-3
Molecular Weight435.43 g/mol
Exact Mass435.05
IUPAC Name2-(3H-1-benzothiophen-3-id-2-yl)pyridine;carbanide;platinum
SMILES[CH3-].[CH3-].[Pt].[c-]1c(-c2ccccn2)sc2ccccc12
InChIInChI=1S/C13H8NS.2CH3.Pt/c1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;;;/h1-8H;2*1H3;/q3*-1;
InChIKeyMVZQBDRFZVCKGW-UHFFFAOYSA-N
XLogP4.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.43
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-(Phenylthio)ethyl)pyridine
CID 88779
2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}pyridine
CID 5713317
3-(4-Methylthiobenzylidene)anabaseine
CID 46702530
2-[2-(4-Tert-butylphenyl)sulfanylethyl]pyridine
CID 738359
2-(Benzo(b)thiophen-2-yl)pyridine
CID 11505853
2-Methyl-5-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyridine
CID 746696
Dimethyl-[2-(2-phenyl-pyridin-4-ylsulfanyl)-ethyl]-amine
CID 44374234
3-Methyl-2-[2-(2-methylsulfonylphenyl)ethynyl]pyridine
CID 44452427
2-[2-(2-Methylsulfonylphenyl)ethynyl]pyridine
CID 44452451
2-{2-[(4-Methylphenyl)sulfonyl]ethyl}pyridine
CID 977774
6-[(2-Methylphenyl)sulfanyl]-3-pyridinylamine
CID 901270
4-Benzylsulfanylpyridine
CID 318267

Frequently Asked Questions

What is the IUPAC name of 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;carbanide;platinum?
The IUPAC name of 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;carbanide;platinum (CID 21044181) is 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;carbanide;platinum.
What is the SMILES notation for 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;carbanide;platinum?
The canonical SMILES for 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;carbanide;platinum is [CH3-].[CH3-].[Pt].[c-]1c(-c2ccccn2)sc2ccccc12.
What is the InChIKey of 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;carbanide;platinum?
The InChIKey is MVZQBDRFZVCKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8NS.2CH3.Pt/c1-2-7-12-10(5-1)9-13(15-12)11-6-3-4-8-14-11;;;/h1-8H;2*1H3;/q3*-1;.
What are the key properties of 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;carbanide;platinum?
2-(3H-1-benzothiophen-3-id-2-yl)pyridine;carbanide;platinum has a molecular weight of 435.43 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-1-benzothiophen-3-id-2-yl)pyridine;carbanide;platinum is sourced from PubChem (CID 21044181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).