2-methyl-6-(3-phenylsulfanylprop-1-ynyl)pyridine

C15H13NS — CID 11333903

IUPAC2-methyl-6-(3-phenylsulfanylprop-1-ynyl)pyridine
SMILESCc1cccc(C#CCSc2ccccc2)n1
InChIInChI=1S/C15H13NS/c1-13-7-5-8-14(16-13)9-6-12-17-15-10-3-2-4-11-15/h2-5,7-8,10-11H,12H2,1H3
InChIKeyQPGKAVMWBQPWGX-UHFFFAOYSA-N
MW239.34 g/mol
LogP3.53
Rot. Bonds2

About 2-methyl-6-(3-phenylsulfanylprop-1-ynyl)pyridine

2-methyl-6-(3-phenylsulfanylprop-1-ynyl)pyridine (PubChem CID 11333903) has the molecular formula C15H13NS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-methyl-6-(3-phenylsulfanylprop-1-ynyl)pyridine.

Molecular Properties

Compound Name2-methyl-6-(3-phenylsulfanylprop-1-ynyl)pyridine
PubChem CID11333903
Molecular FormulaC15H13NS
Molecular Weight239.34 g/mol
Exact Mass239.08
IUPAC Name2-methyl-6-(3-phenylsulfanylprop-1-ynyl)pyridine
SMILESCc1cccc(C#CCSc2ccccc2)n1
InChIInChI=1S/C15H13NS/c1-13-7-5-8-14(16-13)9-6-12-17-15-10-3-2-4-11-15/h2-5,7-8,10-11H,12H2,1H3
InChIKeyQPGKAVMWBQPWGX-UHFFFAOYSA-N
XLogP3.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-phenylsulfanylprop-1-ynyl)pyridine?
The IUPAC name of 2-methyl-6-(3-phenylsulfanylprop-1-ynyl)pyridine (CID 11333903) is 2-methyl-6-(3-phenylsulfanylprop-1-ynyl)pyridine.
What is the SMILES notation for 2-methyl-6-(3-phenylsulfanylprop-1-ynyl)pyridine?
The canonical SMILES for 2-methyl-6-(3-phenylsulfanylprop-1-ynyl)pyridine is Cc1cccc(C#CCSc2ccccc2)n1.
What is the InChIKey of 2-methyl-6-(3-phenylsulfanylprop-1-ynyl)pyridine?
The InChIKey is QPGKAVMWBQPWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NS/c1-13-7-5-8-14(16-13)9-6-12-17-15-10-3-2-4-11-15/h2-5,7-8,10-11H,12H2,1H3.
What are the key properties of 2-methyl-6-(3-phenylsulfanylprop-1-ynyl)pyridine?
2-methyl-6-(3-phenylsulfanylprop-1-ynyl)pyridine has a molecular weight of 239.34 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-phenylsulfanylprop-1-ynyl)pyridine is sourced from PubChem (CID 11333903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).