2-phenyl-6-(phenylsulfanylmethyl)pyridine

C18H15NS — CID 102163268

IUPAC2-phenyl-6-(phenylsulfanylmethyl)pyridine
SMILESc1ccc(SCc2cccc(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H15NS/c1-3-8-15(9-4-1)18-13-7-10-16(19-18)14-20-17-11-5-2-6-12-17/h1-13H,14H2
InChIKeyMFFRNUHDCJVYTN-UHFFFAOYSA-N
MW277.39 g/mol
LogP5.04
Rot. Bonds4

About 2-phenyl-6-(phenylsulfanylmethyl)pyridine

2-phenyl-6-(phenylsulfanylmethyl)pyridine (PubChem CID 102163268) has the molecular formula C18H15NS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-phenyl-6-(phenylsulfanylmethyl)pyridine.

Molecular Properties

Compound Name2-phenyl-6-(phenylsulfanylmethyl)pyridine
PubChem CID102163268
Molecular FormulaC18H15NS
Molecular Weight277.39 g/mol
Exact Mass277.09
IUPAC Name2-phenyl-6-(phenylsulfanylmethyl)pyridine
SMILESc1ccc(SCc2cccc(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H15NS/c1-3-8-15(9-4-1)18-13-7-10-16(19-18)14-20-17-11-5-2-6-12-17/h1-13H,14H2
InChIKeyMFFRNUHDCJVYTN-UHFFFAOYSA-N
XLogP5.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.39
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(fluoromethyl)-6-phenylpyridine
CID 58240037
2-(phenylsulfanylmethyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine
CID 66612778
2-(butylsulfanylmethyl)-6-phenylpyridine
CID 59781949
ditert-butyl-[(6-phenyl-2-pyridinyl)methyl]phosphane
CID 122232365
1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine
CID 57459973
2-phenyl-9-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]-1,10-phenanthroline
CID 129265651
4-phenyl-2-(pyridin-2-ylmethylsulfanyl)-1,3-thiazole
CID 71899247
(2-ethylphenyl)-phenyl-[(6-phenyl-2-pyridinyl)methyl]phosphane
CID 71085572
3-(6-phenyl-2-pyridinyl)-6-[6-(6-phenyl-2-pyridinyl)pyridazin-3-yl]pyridazine
CID 67041293
iridium(3+);2-phenyl-6-pyridin-2-ylpyridine
CID 159332179
dicyclohexyl-[(6-phenyl-2-pyridinyl)methyl]phosphane
CID 59775224
3-[(4-phenyl-1,3-thiazol-2-yl)methylsulfanyl]aniline
CID 71670229

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-(phenylsulfanylmethyl)pyridine?
The IUPAC name of 2-phenyl-6-(phenylsulfanylmethyl)pyridine (CID 102163268) is 2-phenyl-6-(phenylsulfanylmethyl)pyridine.
What is the SMILES notation for 2-phenyl-6-(phenylsulfanylmethyl)pyridine?
The canonical SMILES for 2-phenyl-6-(phenylsulfanylmethyl)pyridine is c1ccc(SCc2cccc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-phenyl-6-(phenylsulfanylmethyl)pyridine?
The InChIKey is MFFRNUHDCJVYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NS/c1-3-8-15(9-4-1)18-13-7-10-16(19-18)14-20-17-11-5-2-6-12-17/h1-13H,14H2.
What are the key properties of 2-phenyl-6-(phenylsulfanylmethyl)pyridine?
2-phenyl-6-(phenylsulfanylmethyl)pyridine has a molecular weight of 277.39 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-(phenylsulfanylmethyl)pyridine is sourced from PubChem (CID 102163268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).