2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone

C16H11ClN2OS2 — CID 7502615

IUPAC2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone
SMILESO=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)c1cccs1
InChIInChI=1S/C16H11ClN2OS2/c17-12-5-3-11(4-6-12)13-7-8-16(19-18-13)22-10-14(20)15-2-1-9-21-15/h1-9H,10H2
InChIKeyLVFZSMSXUXYLHV-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.83
Rot. Bonds5

About 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone

2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone (PubChem CID 7502615) has the molecular formula C16H11ClN2OS2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone
PubChem CID7502615
Molecular FormulaC16H11ClN2OS2
Molecular Weight346.86 g/mol
Exact Mass346.00
IUPAC Name2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone
SMILESO=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)c1cccs1
InChIInChI=1S/C16H11ClN2OS2/c17-12-5-3-11(4-6-12)13-7-8-16(19-18-13)22-10-14(20)15-2-1-9-21-15/h1-9H,10H2
InChIKeyLVFZSMSXUXYLHV-UHFFFAOYSA-N
XLogP4.83
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone?
The IUPAC name of 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone (CID 7502615) is 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone is O=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)c1cccs1.
What is the InChIKey of 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone?
The InChIKey is LVFZSMSXUXYLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2OS2/c17-12-5-3-11(4-6-12)13-7-8-16(19-18-13)22-10-14(20)15-2-1-9-21-15/h1-9H,10H2.
What are the key properties of 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone?
2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone has a molecular weight of 346.86 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-1-thiophen-2-ylethanone is sourced from PubChem (CID 7502615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).