2-[(6-phenyl-2-pyridinyl)sulfanyl]-1-thiophen-2-ylethanone

C17H13NOS2 — CID 686893

IUPAC2-[(6-phenyl-2-pyridinyl)sulfanyl]-1-thiophen-2-ylethanone
SMILESO=C(CSc1cccc(-c2ccccc2)n1)c1cccs1
InChIInChI=1S/C17H13NOS2/c19-15(16-9-5-11-20-16)12-21-17-10-4-8-14(18-17)13-6-2-1-3-7-13/h1-11H,12H2
InChIKeyFFIDIWUTVTYTHE-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.79
Rot. Bonds5

About 2-[(6-phenyl-2-pyridinyl)sulfanyl]-1-thiophen-2-ylethanone

2-[(6-phenyl-2-pyridinyl)sulfanyl]-1-thiophen-2-ylethanone (PubChem CID 686893) has the molecular formula C17H13NOS2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-[(6-phenyl-2-pyridinyl)sulfanyl]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[(6-phenyl-2-pyridinyl)sulfanyl]-1-thiophen-2-ylethanone
PubChem CID686893
Molecular FormulaC17H13NOS2
Molecular Weight311.43 g/mol
Exact Mass311.04
IUPAC Name2-[(6-phenyl-2-pyridinyl)sulfanyl]-1-thiophen-2-ylethanone
SMILESO=C(CSc1cccc(-c2ccccc2)n1)c1cccs1
InChIInChI=1S/C17H13NOS2/c19-15(16-9-5-11-20-16)12-21-17-10-4-8-14(18-17)13-6-2-1-3-7-13/h1-11H,12H2
InChIKeyFFIDIWUTVTYTHE-UHFFFAOYSA-N
XLogP4.79
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-phenyl-2-pyridinyl)sulfanyl]-1-thiophen-2-ylethanone?
The IUPAC name of 2-[(6-phenyl-2-pyridinyl)sulfanyl]-1-thiophen-2-ylethanone (CID 686893) is 2-[(6-phenyl-2-pyridinyl)sulfanyl]-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[(6-phenyl-2-pyridinyl)sulfanyl]-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[(6-phenyl-2-pyridinyl)sulfanyl]-1-thiophen-2-ylethanone is O=C(CSc1cccc(-c2ccccc2)n1)c1cccs1.
What is the InChIKey of 2-[(6-phenyl-2-pyridinyl)sulfanyl]-1-thiophen-2-ylethanone?
The InChIKey is FFIDIWUTVTYTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NOS2/c19-15(16-9-5-11-20-16)12-21-17-10-4-8-14(18-17)13-6-2-1-3-7-13/h1-11H,12H2.
What are the key properties of 2-[(6-phenyl-2-pyridinyl)sulfanyl]-1-thiophen-2-ylethanone?
2-[(6-phenyl-2-pyridinyl)sulfanyl]-1-thiophen-2-ylethanone has a molecular weight of 311.43 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-phenyl-2-pyridinyl)sulfanyl]-1-thiophen-2-ylethanone is sourced from PubChem (CID 686893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).