2-[(2-methyl-5-propan-2-ylphenyl)methylsulfanyl]pyridine

C16H19NS — CID 21406924

IUPAC2-[(2-methyl-5-propan-2-ylphenyl)methylsulfanyl]pyridine
SMILESCc1ccc(C(C)C)cc1CSc1ccccn1
InChIInChI=1S/C16H19NS/c1-12(2)14-8-7-13(3)15(10-14)11-18-16-6-4-5-9-17-16/h4-10,12H,11H2,1-3H3
InChIKeyCGPCRUVTOZKLOY-UHFFFAOYSA-N
MW257.40 g/mol
LogP4.81
Rot. Bonds4

About 2-[(2-methyl-5-propan-2-ylphenyl)methylsulfanyl]pyridine

2-[(2-methyl-5-propan-2-ylphenyl)methylsulfanyl]pyridine (PubChem CID 21406924) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is 2-[(2-methyl-5-propan-2-ylphenyl)methylsulfanyl]pyridine.

Molecular Properties

Compound Name2-[(2-methyl-5-propan-2-ylphenyl)methylsulfanyl]pyridine
PubChem CID21406924
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name2-[(2-methyl-5-propan-2-ylphenyl)methylsulfanyl]pyridine
SMILESCc1ccc(C(C)C)cc1CSc1ccccn1
InChIInChI=1S/C16H19NS/c1-12(2)14-8-7-13(3)15(10-14)11-18-16-6-4-5-9-17-16/h4-10,12H,11H2,1-3H3
InChIKeyCGPCRUVTOZKLOY-UHFFFAOYSA-N
XLogP4.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-5-propan-2-ylphenyl)methylsulfanyl]pyridine?
The IUPAC name of 2-[(2-methyl-5-propan-2-ylphenyl)methylsulfanyl]pyridine (CID 21406924) is 2-[(2-methyl-5-propan-2-ylphenyl)methylsulfanyl]pyridine.
What is the SMILES notation for 2-[(2-methyl-5-propan-2-ylphenyl)methylsulfanyl]pyridine?
The canonical SMILES for 2-[(2-methyl-5-propan-2-ylphenyl)methylsulfanyl]pyridine is Cc1ccc(C(C)C)cc1CSc1ccccn1.
What is the InChIKey of 2-[(2-methyl-5-propan-2-ylphenyl)methylsulfanyl]pyridine?
The InChIKey is CGPCRUVTOZKLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-12(2)14-8-7-13(3)15(10-14)11-18-16-6-4-5-9-17-16/h4-10,12H,11H2,1-3H3.
What are the key properties of 2-[(2-methyl-5-propan-2-ylphenyl)methylsulfanyl]pyridine?
2-[(2-methyl-5-propan-2-ylphenyl)methylsulfanyl]pyridine has a molecular weight of 257.40 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-5-propan-2-ylphenyl)methylsulfanyl]pyridine is sourced from PubChem (CID 21406924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).