dimethyl-(2-pyridin-2-ylphenyl)sulfanium

C13H14NS+ — CID 134843471

IUPACdimethyl-(2-pyridin-2-ylphenyl)sulfanium
SMILESC[S+](C)c1ccccc1-c1ccccn1
InChIInChI=1S/C13H14NS/c1-15(2)13-9-4-3-7-11(13)12-8-5-6-10-14-12/h3-10H,1-2H3/q+1
InChIKeyVAWIQNKOGPXBJN-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.99
Rot. Bonds2

About dimethyl-(2-pyridin-2-ylphenyl)sulfanium

dimethyl-(2-pyridin-2-ylphenyl)sulfanium (PubChem CID 134843471) has the molecular formula C13H14NS+ and a molecular weight of 216.33 g/mol. Its IUPAC name is dimethyl-(2-pyridin-2-ylphenyl)sulfanium.

Molecular Properties

Compound Namedimethyl-(2-pyridin-2-ylphenyl)sulfanium
PubChem CID134843471
Molecular FormulaC13H14NS+
Molecular Weight216.33 g/mol
Exact Mass216.08
IUPAC Namedimethyl-(2-pyridin-2-ylphenyl)sulfanium
SMILESC[S+](C)c1ccccc1-c1ccccn1
InChIInChI=1S/C13H14NS/c1-15(2)13-9-4-3-7-11(13)12-8-5-6-10-14-12/h3-10H,1-2H3/q+1
InChIKeyVAWIQNKOGPXBJN-UHFFFAOYSA-N
XLogP2.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Pheniramine
CID 4761
Prothionamide
CID 666418
5-Ethyl-2-methylpyridine
CID 7728
Anabaseine
CID 18985
2-(3-Phenylpropyl)Pyridine
CID 459494
3-Phenylpyridine
CID 13886
4-(3-Phenylpropyl)pyridine
CID 74937
4-Benzylpyridine
CID 16458
2-Phenylpyridine
CID 13887
2-(Phenylmethyl)pyridine
CID 7581
2-Ethyl-5-methylpyridine
CID 519519
4-Phenyl-2-(4-pyridyl)thiazole
CID 738483

Frequently Asked Questions

What is the IUPAC name of dimethyl-(2-pyridin-2-ylphenyl)sulfanium?
The IUPAC name of dimethyl-(2-pyridin-2-ylphenyl)sulfanium (CID 134843471) is dimethyl-(2-pyridin-2-ylphenyl)sulfanium.
What is the SMILES notation for dimethyl-(2-pyridin-2-ylphenyl)sulfanium?
The canonical SMILES for dimethyl-(2-pyridin-2-ylphenyl)sulfanium is C[S+](C)c1ccccc1-c1ccccn1.
What is the InChIKey of dimethyl-(2-pyridin-2-ylphenyl)sulfanium?
The InChIKey is VAWIQNKOGPXBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14NS/c1-15(2)13-9-4-3-7-11(13)12-8-5-6-10-14-12/h3-10H,1-2H3/q+1.
What are the key properties of dimethyl-(2-pyridin-2-ylphenyl)sulfanium?
dimethyl-(2-pyridin-2-ylphenyl)sulfanium has a molecular weight of 216.33 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-pyridin-2-ylphenyl)sulfanium is sourced from PubChem (CID 134843471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).