2-[(4-chlorophenyl)methylsulfanyl]pyridine

C12H10ClNS — CID 501251

IUPAC2-[(4-chlorophenyl)methylsulfanyl]pyridine
SMILESClc1ccc(CSc2ccccn2)cc1
InChIInChI=1S/C12H10ClNS/c13-11-6-4-10(5-7-11)9-15-12-3-1-2-8-14-12/h1-8H,9H2
InChIKeyDJGADUJSUSJJPL-UHFFFAOYSA-N
MW235.74 g/mol
LogP4.03
Rot. Bonds3

About 2-[(4-chlorophenyl)methylsulfanyl]pyridine

2-[(4-chlorophenyl)methylsulfanyl]pyridine (PubChem CID 501251) has the molecular formula C12H10ClNS and a molecular weight of 235.74 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]pyridine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]pyridine
PubChem CID501251
Molecular FormulaC12H10ClNS
Molecular Weight235.74 g/mol
Exact Mass235.02
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]pyridine
SMILESClc1ccc(CSc2ccccn2)cc1
InChIInChI=1S/C12H10ClNS/c13-11-6-4-10(5-7-11)9-15-12-3-1-2-8-14-12/h1-8H,9H2
InChIKeyDJGADUJSUSJJPL-UHFFFAOYSA-N
XLogP4.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.74
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]pyridine?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]pyridine (CID 501251) is 2-[(4-chlorophenyl)methylsulfanyl]pyridine.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]pyridine?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]pyridine is Clc1ccc(CSc2ccccn2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]pyridine?
The InChIKey is DJGADUJSUSJJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNS/c13-11-6-4-10(5-7-11)9-15-12-3-1-2-8-14-12/h1-8H,9H2.
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]pyridine?
2-[(4-chlorophenyl)methylsulfanyl]pyridine has a molecular weight of 235.74 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]pyridine is sourced from PubChem (CID 501251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).