2-[5-[(4-chlorophenyl)methylsulfanyl]thiophen-2-yl]pyridine

C16H12ClNS2 — CID 2819654

IUPAC2-[5-[(4-chlorophenyl)methylsulfanyl]thiophen-2-yl]pyridine
SMILESClc1ccc(CSc2ccc(-c3ccccn3)s2)cc1
InChIInChI=1S/C16H12ClNS2/c17-13-6-4-12(5-7-13)11-19-16-9-8-15(20-16)14-3-1-2-10-18-14/h1-10H,11H2
InChIKeyWMHCSZMYYUPGOZ-UHFFFAOYSA-N
MW317.87 g/mol
LogP5.76
Rot. Bonds4

About 2-[5-[(4-chlorophenyl)methylsulfanyl]thiophen-2-yl]pyridine

2-[5-[(4-chlorophenyl)methylsulfanyl]thiophen-2-yl]pyridine (PubChem CID 2819654) has the molecular formula C16H12ClNS2 and a molecular weight of 317.87 g/mol. Its IUPAC name is 2-[5-[(4-chlorophenyl)methylsulfanyl]thiophen-2-yl]pyridine.

Molecular Properties

Compound Name2-[5-[(4-chlorophenyl)methylsulfanyl]thiophen-2-yl]pyridine
PubChem CID2819654
Molecular FormulaC16H12ClNS2
Molecular Weight317.87 g/mol
Exact Mass317.01
IUPAC Name2-[5-[(4-chlorophenyl)methylsulfanyl]thiophen-2-yl]pyridine
SMILESClc1ccc(CSc2ccc(-c3ccccn3)s2)cc1
InChIInChI=1S/C16H12ClNS2/c17-13-6-4-12(5-7-13)11-19-16-9-8-15(20-16)14-3-1-2-10-18-14/h1-10H,11H2
InChIKeyWMHCSZMYYUPGOZ-UHFFFAOYSA-N
XLogP5.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.87
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-chlorophenyl)methylsulfanyl]thiophen-2-yl]pyridine?
The IUPAC name of 2-[5-[(4-chlorophenyl)methylsulfanyl]thiophen-2-yl]pyridine (CID 2819654) is 2-[5-[(4-chlorophenyl)methylsulfanyl]thiophen-2-yl]pyridine.
What is the SMILES notation for 2-[5-[(4-chlorophenyl)methylsulfanyl]thiophen-2-yl]pyridine?
The canonical SMILES for 2-[5-[(4-chlorophenyl)methylsulfanyl]thiophen-2-yl]pyridine is Clc1ccc(CSc2ccc(-c3ccccn3)s2)cc1.
What is the InChIKey of 2-[5-[(4-chlorophenyl)methylsulfanyl]thiophen-2-yl]pyridine?
The InChIKey is WMHCSZMYYUPGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNS2/c17-13-6-4-12(5-7-13)11-19-16-9-8-15(20-16)14-3-1-2-10-18-14/h1-10H,11H2.
What are the key properties of 2-[5-[(4-chlorophenyl)methylsulfanyl]thiophen-2-yl]pyridine?
2-[5-[(4-chlorophenyl)methylsulfanyl]thiophen-2-yl]pyridine has a molecular weight of 317.87 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-chlorophenyl)methylsulfanyl]thiophen-2-yl]pyridine is sourced from PubChem (CID 2819654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).