1-(4-chlorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone

C16H11ClN2OS2 — CID 20900471

IUPAC1-(4-chlorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone
SMILESO=C(CSc1ccc(-c2cccs2)nn1)c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN2OS2/c17-12-5-3-11(4-6-12)14(20)10-22-16-8-7-13(18-19-16)15-2-1-9-21-15/h1-9H,10H2
InChIKeyALATUWCZXADAHY-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.83
Rot. Bonds5

About 1-(4-chlorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone

1-(4-chlorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone (PubChem CID 20900471) has the molecular formula C16H11ClN2OS2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone
PubChem CID20900471
Molecular FormulaC16H11ClN2OS2
Molecular Weight346.86 g/mol
Exact Mass346.00
IUPAC Name1-(4-chlorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone
SMILESO=C(CSc1ccc(-c2cccs2)nn1)c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClN2OS2/c17-12-5-3-11(4-6-12)14(20)10-22-16-8-7-13(18-19-16)15-2-1-9-21-15/h1-9H,10H2
InChIKeyALATUWCZXADAHY-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 1-(4-chlorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone (CID 20900471) is 1-(4-chlorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone is O=C(CSc1ccc(-c2cccs2)nn1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone?
The InChIKey is ALATUWCZXADAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2OS2/c17-12-5-3-11(4-6-12)14(20)10-22-16-8-7-13(18-19-16)15-2-1-9-21-15/h1-9H,10H2.
What are the key properties of 1-(4-chlorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone?
1-(4-chlorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone 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 1-(4-chlorophenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone is sourced from PubChem (CID 20900471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).