1-(2,5-dichlorothiophen-3-yl)-2-pyridin-2-ylsulfanylethanone

C11H7Cl2NOS2 — CID 2805500

IUPAC1-(2,5-dichlorothiophen-3-yl)-2-pyridin-2-ylsulfanylethanone
SMILESO=C(CSc1ccccn1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H7Cl2NOS2/c12-9-5-7(11(13)17-9)8(15)6-16-10-3-1-2-4-14-10/h1-5H,6H2
InChIKeyRHGAOIKQIGQXIY-UHFFFAOYSA-N
MW304.22 g/mol
LogP4.42
Rot. Bonds4

About 1-(2,5-dichlorothiophen-3-yl)-2-pyridin-2-ylsulfanylethanone

1-(2,5-dichlorothiophen-3-yl)-2-pyridin-2-ylsulfanylethanone (PubChem CID 2805500) has the molecular formula C11H7Cl2NOS2 and a molecular weight of 304.22 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2-pyridin-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2-pyridin-2-ylsulfanylethanone
PubChem CID2805500
Molecular FormulaC11H7Cl2NOS2
Molecular Weight304.22 g/mol
Exact Mass302.93
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2-pyridin-2-ylsulfanylethanone
SMILESO=C(CSc1ccccn1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H7Cl2NOS2/c12-9-5-7(11(13)17-9)8(15)6-16-10-3-1-2-4-14-10/h1-5H,6H2
InChIKeyRHGAOIKQIGQXIY-UHFFFAOYSA-N
XLogP4.42
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-pyridin-2-ylsulfanylethanone?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-pyridin-2-ylsulfanylethanone (CID 2805500) is 1-(2,5-dichlorothiophen-3-yl)-2-pyridin-2-ylsulfanylethanone.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2-pyridin-2-ylsulfanylethanone?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2-pyridin-2-ylsulfanylethanone is O=C(CSc1ccccn1)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2-pyridin-2-ylsulfanylethanone?
The InChIKey is RHGAOIKQIGQXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NOS2/c12-9-5-7(11(13)17-9)8(15)6-16-10-3-1-2-4-14-10/h1-5H,6H2.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2-pyridin-2-ylsulfanylethanone?
1-(2,5-dichlorothiophen-3-yl)-2-pyridin-2-ylsulfanylethanone has a molecular weight of 304.22 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-2-pyridin-2-ylsulfanylethanone is sourced from PubChem (CID 2805500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).