3-(3-benzylsulfanyl-2-methylphenyl)pyridine

C19H17NS — CID 67155182

IUPAC3-(3-benzylsulfanyl-2-methylphenyl)pyridine
SMILESCc1c(SCc2ccccc2)cccc1-c1cccnc1
InChIInChI=1S/C19H17NS/c1-15-18(17-9-6-12-20-13-17)10-5-11-19(15)21-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3
InChIKeyVVMAXXYRMGJPFI-UHFFFAOYSA-N
MW291.42 g/mol
LogP5.35
Rot. Bonds4

About 3-(3-benzylsulfanyl-2-methylphenyl)pyridine

3-(3-benzylsulfanyl-2-methylphenyl)pyridine (PubChem CID 67155182) has the molecular formula C19H17NS and a molecular weight of 291.42 g/mol. Its IUPAC name is 3-(3-benzylsulfanyl-2-methylphenyl)pyridine.

Molecular Properties

Compound Name3-(3-benzylsulfanyl-2-methylphenyl)pyridine
PubChem CID67155182
Molecular FormulaC19H17NS
Molecular Weight291.42 g/mol
Exact Mass291.11
IUPAC Name3-(3-benzylsulfanyl-2-methylphenyl)pyridine
SMILESCc1c(SCc2ccccc2)cccc1-c1cccnc1
InChIInChI=1S/C19H17NS/c1-15-18(17-9-6-12-20-13-17)10-5-11-19(15)21-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3
InChIKeyVVMAXXYRMGJPFI-UHFFFAOYSA-N
XLogP5.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.42
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methyl-3-phenylphenyl)pyridine
CID 91046767
1-benzylsulfanyl-2-(2-benzylsulfanylphenyl)benzene
CID 5199420
3-(2-methylphenyl)pyridine
CID 4133191
3-(benzylsulfanylmethyl)pyridine
CID 3025143
3-(phenylsulfanylmethyl)pyridine;hydrochloride
CID 71374325
2-(2-benzylsulfanylphenyl)-6-phenylphenol;2-(2-methylsulfanylphenyl)-6-phenylphenol
CID 142823589
4-methyl-3-phenylmethoxy-5-pyridin-3-ylpyridine
CID 175581548
3-[4-(2-methylphenyl)-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine
CID 35164092
1-(4-phenylphenyl)-2-pyridin-3-ylethanol
CID 65455131
3-(5-pyridin-3-ylnaphthalen-1-yl)pyridine
CID 169050404
3-[2-(3-methylbutyl)phenyl]pyridine
CID 159924713
ethane;ethylbenzene;3-ethylpyridine
CID 145171299

Frequently Asked Questions

What is the IUPAC name of 3-(3-benzylsulfanyl-2-methylphenyl)pyridine?
The IUPAC name of 3-(3-benzylsulfanyl-2-methylphenyl)pyridine (CID 67155182) is 3-(3-benzylsulfanyl-2-methylphenyl)pyridine.
What is the SMILES notation for 3-(3-benzylsulfanyl-2-methylphenyl)pyridine?
The canonical SMILES for 3-(3-benzylsulfanyl-2-methylphenyl)pyridine is Cc1c(SCc2ccccc2)cccc1-c1cccnc1.
What is the InChIKey of 3-(3-benzylsulfanyl-2-methylphenyl)pyridine?
The InChIKey is VVMAXXYRMGJPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NS/c1-15-18(17-9-6-12-20-13-17)10-5-11-19(15)21-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3.
What are the key properties of 3-(3-benzylsulfanyl-2-methylphenyl)pyridine?
3-(3-benzylsulfanyl-2-methylphenyl)pyridine has a molecular weight of 291.42 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzylsulfanyl-2-methylphenyl)pyridine is sourced from PubChem (CID 67155182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).