4-methyl-6-phenyl-1H-pyridine-2-thione

C12H11NS — CID 21452512

IUPAC4-methyl-6-phenyl-1H-pyridine-2-thione
SMILESCc1cc(-c2ccccc2)[nH]c(=S)c1
InChIInChI=1S/C12H11NS/c1-9-7-11(13-12(14)8-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,13,14)
InChIKeyCYNDHUPXQXSJEF-UHFFFAOYSA-N
MW201.29 g/mol
LogP3.72
Rot. Bonds1

About 4-methyl-6-phenyl-1H-pyridine-2-thione

4-methyl-6-phenyl-1H-pyridine-2-thione (PubChem CID 21452512) has the molecular formula C12H11NS and a molecular weight of 201.29 g/mol. Its IUPAC name is 4-methyl-6-phenyl-1H-pyridine-2-thione.

Molecular Properties

Compound Name4-methyl-6-phenyl-1H-pyridine-2-thione
PubChem CID21452512
Molecular FormulaC12H11NS
Molecular Weight201.29 g/mol
Exact Mass201.06
IUPAC Name4-methyl-6-phenyl-1H-pyridine-2-thione
SMILESCc1cc(-c2ccccc2)[nH]c(=S)c1
InChIInChI=1S/C12H11NS/c1-9-7-11(13-12(14)8-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,13,14)
InChIKeyCYNDHUPXQXSJEF-UHFFFAOYSA-N
XLogP3.72
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-phenyl-1H-pyridine-2-thione?
The IUPAC name of 4-methyl-6-phenyl-1H-pyridine-2-thione (CID 21452512) is 4-methyl-6-phenyl-1H-pyridine-2-thione.
What is the SMILES notation for 4-methyl-6-phenyl-1H-pyridine-2-thione?
The canonical SMILES for 4-methyl-6-phenyl-1H-pyridine-2-thione is Cc1cc(-c2ccccc2)[nH]c(=S)c1.
What is the InChIKey of 4-methyl-6-phenyl-1H-pyridine-2-thione?
The InChIKey is CYNDHUPXQXSJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NS/c1-9-7-11(13-12(14)8-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,13,14).
What are the key properties of 4-methyl-6-phenyl-1H-pyridine-2-thione?
4-methyl-6-phenyl-1H-pyridine-2-thione has a molecular weight of 201.29 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-phenyl-1H-pyridine-2-thione is sourced from PubChem (CID 21452512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).