2-[2,6-bis(thiophen-2-ylsulfanyl)phenyl]pyridine

C19H13NS4 — CID 132603534

IUPAC2-[2,6-bis(thiophen-2-ylsulfanyl)phenyl]pyridine
SMILESc1ccc(-c2c(Sc3cccs3)cccc2Sc2cccs2)nc1
InChIInChI=1S/C19H13NS4/c1-2-11-20-14(6-1)19-15(23-17-9-4-12-21-17)7-3-8-16(19)24-18-10-5-13-22-18/h1-13H
InChIKeyAWSGWQVQMSQIEC-UHFFFAOYSA-N
MW383.59 g/mol
LogP7.17
Rot. Bonds5

About 2-[2,6-bis(thiophen-2-ylsulfanyl)phenyl]pyridine

2-[2,6-bis(thiophen-2-ylsulfanyl)phenyl]pyridine (PubChem CID 132603534) has the molecular formula C19H13NS4 and a molecular weight of 383.59 g/mol. Its IUPAC name is 2-[2,6-bis(thiophen-2-ylsulfanyl)phenyl]pyridine.

Molecular Properties

Compound Name2-[2,6-bis(thiophen-2-ylsulfanyl)phenyl]pyridine
PubChem CID132603534
Molecular FormulaC19H13NS4
Molecular Weight383.59 g/mol
Exact Mass382.99
IUPAC Name2-[2,6-bis(thiophen-2-ylsulfanyl)phenyl]pyridine
SMILESc1ccc(-c2c(Sc3cccs3)cccc2Sc2cccs2)nc1
InChIInChI=1S/C19H13NS4/c1-2-11-20-14(6-1)19-15(23-17-9-4-12-21-17)7-3-8-16(19)24-18-10-5-13-22-18/h1-13H
InChIKeyAWSGWQVQMSQIEC-UHFFFAOYSA-N
XLogP7.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.59
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2,6-bis(thiophen-2-ylsulfanyl)phenyl]pyridine?
The IUPAC name of 2-[2,6-bis(thiophen-2-ylsulfanyl)phenyl]pyridine (CID 132603534) is 2-[2,6-bis(thiophen-2-ylsulfanyl)phenyl]pyridine.
What is the SMILES notation for 2-[2,6-bis(thiophen-2-ylsulfanyl)phenyl]pyridine?
The canonical SMILES for 2-[2,6-bis(thiophen-2-ylsulfanyl)phenyl]pyridine is c1ccc(-c2c(Sc3cccs3)cccc2Sc2cccs2)nc1.
What is the InChIKey of 2-[2,6-bis(thiophen-2-ylsulfanyl)phenyl]pyridine?
The InChIKey is AWSGWQVQMSQIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NS4/c1-2-11-20-14(6-1)19-15(23-17-9-4-12-21-17)7-3-8-16(19)24-18-10-5-13-22-18/h1-13H.
What are the key properties of 2-[2,6-bis(thiophen-2-ylsulfanyl)phenyl]pyridine?
2-[2,6-bis(thiophen-2-ylsulfanyl)phenyl]pyridine has a molecular weight of 383.59 g/mol, XLogP of 7.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-bis(thiophen-2-ylsulfanyl)phenyl]pyridine is sourced from PubChem (CID 132603534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).