2-(5-methyl-2-phenylsulfanylphenyl)pyridine

C18H15NS — CID 102335497

IUPAC2-(5-methyl-2-phenylsulfanylphenyl)pyridine
SMILESCc1ccc(Sc2ccccc2)c(-c2ccccn2)c1
InChIInChI=1S/C18H15NS/c1-14-10-11-18(20-15-7-3-2-4-8-15)16(13-14)17-9-5-6-12-19-17/h2-13H,1H3
InChIKeyBVLQITBACNSJPZ-UHFFFAOYSA-N
MW277.39 g/mol
LogP5.21
Rot. Bonds3

About 2-(5-methyl-2-phenylsulfanylphenyl)pyridine

2-(5-methyl-2-phenylsulfanylphenyl)pyridine (PubChem CID 102335497) has the molecular formula C18H15NS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-(5-methyl-2-phenylsulfanylphenyl)pyridine.

Molecular Properties

Compound Name2-(5-methyl-2-phenylsulfanylphenyl)pyridine
PubChem CID102335497
Molecular FormulaC18H15NS
Molecular Weight277.39 g/mol
Exact Mass277.09
IUPAC Name2-(5-methyl-2-phenylsulfanylphenyl)pyridine
SMILESCc1ccc(Sc2ccccc2)c(-c2ccccn2)c1
InChIInChI=1S/C18H15NS/c1-14-10-11-18(20-15-7-3-2-4-8-15)16(13-14)17-9-5-6-12-19-17/h2-13H,1H3
InChIKeyBVLQITBACNSJPZ-UHFFFAOYSA-N
XLogP5.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.39
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methyl-2-phenylsulfanylphenyl)pyridine
CID 122394964
2-(4-methyl-2-phenylphenyl)pyridine
CID 20606677
2-(2,4-dimethylphenyl)pyridine;ethane
CID 143636710
4-methyl-1-[(4-methyl-2-phenylsulfanylphenyl)disulfanyl]-2-phenylsulfanylbenzene
CID 22351744
2-[5-methyl-2-[(Z)-prop-1-enyl]phenyl]pyridine
CID 90050951
2-(2-iodo-5-methyl-3-pyridin-2-ylphenyl)pyridine
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2-(2,5-dimethyl-4-pyridin-2-ylphenyl)pyridine
CID 118652406
2-[4-methyl-2-[(E)-2-phenylethenyl]phenyl]pyridine
CID 132600270
2-[5-methyl-2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]pyridine
CID 102107800
6-phenyl-4-phenylsulfanyl-3-pyridin-2-ylpyridazine
CID 86079542
(5-methyl-2-pyridin-2-ylphenyl)methanol
CID 132605733
3-methyl-8-phenylsulfanyl-5-pyridin-2-yl-3,4-dihydro-2H-naphthalen-1-one
CID 22120408

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-phenylsulfanylphenyl)pyridine?
The IUPAC name of 2-(5-methyl-2-phenylsulfanylphenyl)pyridine (CID 102335497) is 2-(5-methyl-2-phenylsulfanylphenyl)pyridine.
What is the SMILES notation for 2-(5-methyl-2-phenylsulfanylphenyl)pyridine?
The canonical SMILES for 2-(5-methyl-2-phenylsulfanylphenyl)pyridine is Cc1ccc(Sc2ccccc2)c(-c2ccccn2)c1.
What is the InChIKey of 2-(5-methyl-2-phenylsulfanylphenyl)pyridine?
The InChIKey is BVLQITBACNSJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NS/c1-14-10-11-18(20-15-7-3-2-4-8-15)16(13-14)17-9-5-6-12-19-17/h2-13H,1H3.
What are the key properties of 2-(5-methyl-2-phenylsulfanylphenyl)pyridine?
2-(5-methyl-2-phenylsulfanylphenyl)pyridine has a molecular weight of 277.39 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-phenylsulfanylphenyl)pyridine is sourced from PubChem (CID 102335497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).