2-pyridin-2-ylsulfanyl-1-thiophen-2-ylethanone

C11H9NOS2 — CID 3876278

IUPAC2-pyridin-2-ylsulfanyl-1-thiophen-2-ylethanone
SMILESO=C(CSc1ccccn1)c1cccs1
InChIInChI=1S/C11H9NOS2/c13-9(10-4-3-7-14-10)8-15-11-5-1-2-6-12-11/h1-7H,8H2
InChIKeyIPZKWVLWGDRJCU-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.12
Rot. Bonds4

About 2-pyridin-2-ylsulfanyl-1-thiophen-2-ylethanone

2-pyridin-2-ylsulfanyl-1-thiophen-2-ylethanone (PubChem CID 3876278) has the molecular formula C11H9NOS2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-pyridin-2-ylsulfanyl-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-pyridin-2-ylsulfanyl-1-thiophen-2-ylethanone
PubChem CID3876278
Molecular FormulaC11H9NOS2
Molecular Weight235.33 g/mol
Exact Mass235.01
IUPAC Name2-pyridin-2-ylsulfanyl-1-thiophen-2-ylethanone
SMILESO=C(CSc1ccccn1)c1cccs1
InChIInChI=1S/C11H9NOS2/c13-9(10-4-3-7-14-10)8-15-11-5-1-2-6-12-11/h1-7H,8H2
InChIKeyIPZKWVLWGDRJCU-UHFFFAOYSA-N
XLogP3.12
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenylsulfanyl-1-thiophen-2-ylethanone
CID 11042682
2-[[5-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone
CID 2414449
2-(5-methylpyrimidin-2-yl)sulfanyl-1-thiophen-2-ylethanone
CID 60971710
N-methyl-2-pyridin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 25342931
2-[(6-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]-1-thiophen-2-ylethanone
CID 7531979
2-pyridin-2-ylsulfanyl-N-(thiophen-2-ylmethylideneamino)acetamide
CID 749028
2-pyridin-2-ylsulfanyl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 5400534
1-(1-methylpyrrol-3-yl)-2-pyridin-2-ylsulfanylethanone
CID 43218718
1-(2,5-dichlorothiophen-3-yl)-2-pyridin-2-ylsulfanylethanone
CID 2805500
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-pyridin-2-ylsulfanylacetamide
CID 9347590
2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone
CID 7502615
2-(2-pyridin-2-ylphenyl)-1-thiophen-2-ylethanone
CID 151487263

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylsulfanyl-1-thiophen-2-ylethanone?
The IUPAC name of 2-pyridin-2-ylsulfanyl-1-thiophen-2-ylethanone (CID 3876278) is 2-pyridin-2-ylsulfanyl-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-pyridin-2-ylsulfanyl-1-thiophen-2-ylethanone?
The canonical SMILES for 2-pyridin-2-ylsulfanyl-1-thiophen-2-ylethanone is O=C(CSc1ccccn1)c1cccs1.
What is the InChIKey of 2-pyridin-2-ylsulfanyl-1-thiophen-2-ylethanone?
The InChIKey is IPZKWVLWGDRJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS2/c13-9(10-4-3-7-14-10)8-15-11-5-1-2-6-12-11/h1-7H,8H2.
What are the key properties of 2-pyridin-2-ylsulfanyl-1-thiophen-2-ylethanone?
2-pyridin-2-ylsulfanyl-1-thiophen-2-ylethanone has a molecular weight of 235.33 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylsulfanyl-1-thiophen-2-ylethanone is sourced from PubChem (CID 3876278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).