3,4-dimethyl-6-phenyl-2-phenylsulfanylpyridine

C19H17NS — CID 56839629

IUPAC3,4-dimethyl-6-phenyl-2-phenylsulfanylpyridine
SMILESCc1cc(-c2ccccc2)nc(Sc2ccccc2)c1C
InChIInChI=1S/C19H17NS/c1-14-13-18(16-9-5-3-6-10-16)20-19(15(14)2)21-17-11-7-4-8-12-17/h3-13H,1-2H3
InChIKeyGRFZGZIEMQADTA-UHFFFAOYSA-N
MW291.42 g/mol
LogP5.52
Rot. Bonds3

About 3,4-dimethyl-6-phenyl-2-phenylsulfanylpyridine

3,4-dimethyl-6-phenyl-2-phenylsulfanylpyridine (PubChem CID 56839629) has the molecular formula C19H17NS and a molecular weight of 291.42 g/mol. Its IUPAC name is 3,4-dimethyl-6-phenyl-2-phenylsulfanylpyridine.

Molecular Properties

Compound Name3,4-dimethyl-6-phenyl-2-phenylsulfanylpyridine
PubChem CID56839629
Molecular FormulaC19H17NS
Molecular Weight291.42 g/mol
Exact Mass291.11
IUPAC Name3,4-dimethyl-6-phenyl-2-phenylsulfanylpyridine
SMILESCc1cc(-c2ccccc2)nc(Sc2ccccc2)c1C
InChIInChI=1S/C19H17NS/c1-14-13-18(16-9-5-3-6-10-16)20-19(15(14)2)21-17-11-7-4-8-12-17/h3-13H,1-2H3
InChIKeyGRFZGZIEMQADTA-UHFFFAOYSA-N
XLogP5.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.42
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-6-phenyl-2-phenylsulfanylpyridine?
The IUPAC name of 3,4-dimethyl-6-phenyl-2-phenylsulfanylpyridine (CID 56839629) is 3,4-dimethyl-6-phenyl-2-phenylsulfanylpyridine.
What is the SMILES notation for 3,4-dimethyl-6-phenyl-2-phenylsulfanylpyridine?
The canonical SMILES for 3,4-dimethyl-6-phenyl-2-phenylsulfanylpyridine is Cc1cc(-c2ccccc2)nc(Sc2ccccc2)c1C.
What is the InChIKey of 3,4-dimethyl-6-phenyl-2-phenylsulfanylpyridine?
The InChIKey is GRFZGZIEMQADTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NS/c1-14-13-18(16-9-5-3-6-10-16)20-19(15(14)2)21-17-11-7-4-8-12-17/h3-13H,1-2H3.
What are the key properties of 3,4-dimethyl-6-phenyl-2-phenylsulfanylpyridine?
3,4-dimethyl-6-phenyl-2-phenylsulfanylpyridine has a molecular weight of 291.42 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-6-phenyl-2-phenylsulfanylpyridine is sourced from PubChem (CID 56839629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).