2-(6-phenylpyridazin-3-yl)sulfanyl-1-thiophen-2-ylethanone

C16H12N2OS2 — CID 7205744

IUPAC2-(6-phenylpyridazin-3-yl)sulfanyl-1-thiophen-2-ylethanone
SMILESO=C(CSc1ccc(-c2ccccc2)nn1)c1cccs1
InChIInChI=1S/C16H12N2OS2/c19-14(15-7-4-10-20-15)11-21-16-9-8-13(17-18-16)12-5-2-1-3-6-12/h1-10H,11H2
InChIKeyZCTMFGPZGXXKJE-UHFFFAOYSA-N
MW312.42 g/mol
LogP4.18
Rot. Bonds5

About 2-(6-phenylpyridazin-3-yl)sulfanyl-1-thiophen-2-ylethanone

2-(6-phenylpyridazin-3-yl)sulfanyl-1-thiophen-2-ylethanone (PubChem CID 7205744) has the molecular formula C16H12N2OS2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(6-phenylpyridazin-3-yl)sulfanyl-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-(6-phenylpyridazin-3-yl)sulfanyl-1-thiophen-2-ylethanone
PubChem CID7205744
Molecular FormulaC16H12N2OS2
Molecular Weight312.42 g/mol
Exact Mass312.04
IUPAC Name2-(6-phenylpyridazin-3-yl)sulfanyl-1-thiophen-2-ylethanone
SMILESO=C(CSc1ccc(-c2ccccc2)nn1)c1cccs1
InChIInChI=1S/C16H12N2OS2/c19-14(15-7-4-10-20-15)11-21-16-9-8-13(17-18-16)12-5-2-1-3-6-12/h1-10H,11H2
InChIKeyZCTMFGPZGXXKJE-UHFFFAOYSA-N
XLogP4.18
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-((2-Methylbenzyl)thio)-6-(thiophen-2-yl)pyridazine
CID 16019285
1-Thiophen-2-yl-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone
CID 7207253
7-Phenyl-1-(6-(thiophen-2-yl)-pyridazin-3-yl)-heptan-1-one
CID 24951321
3-(2-thienyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 2765457
3-(Benzylthio)-6-(thiophen-2-yl)pyridazine
CID 6624149
1-Phenyl-2-(6-phenylpyridazin-3-yl)sulfanylethanone
CID 7205727
1-Phenyl-2-((6-(p-tolyl)pyridazin-3-yl)thio)ethanone
CID 7206012
3-((4-Fluorobenzyl)thio)-6-(thiophen-2-yl)pyridazine
CID 12006199
N-(4-acetylphenyl)-2-((6-(thiophen-2-yl)pyridazin-3-yl)thio)acetamide
CID 16019272
2-((6-Phenylpyridazin-3-yl)thio)-1-(p-tolyl)ethanone
CID 7205740
3-[(4-Methylbenzyl)thio]-6-(2-thienyl)pyridazine
CID 12006141
3-[(3-Methylphenyl)methylthio]-6-thiophen-2-ylpyridazine
CID 12006192

Frequently Asked Questions

What is the IUPAC name of 2-(6-phenylpyridazin-3-yl)sulfanyl-1-thiophen-2-ylethanone?
The IUPAC name of 2-(6-phenylpyridazin-3-yl)sulfanyl-1-thiophen-2-ylethanone (CID 7205744) is 2-(6-phenylpyridazin-3-yl)sulfanyl-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-(6-phenylpyridazin-3-yl)sulfanyl-1-thiophen-2-ylethanone?
The canonical SMILES for 2-(6-phenylpyridazin-3-yl)sulfanyl-1-thiophen-2-ylethanone is O=C(CSc1ccc(-c2ccccc2)nn1)c1cccs1.
What is the InChIKey of 2-(6-phenylpyridazin-3-yl)sulfanyl-1-thiophen-2-ylethanone?
The InChIKey is ZCTMFGPZGXXKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2OS2/c19-14(15-7-4-10-20-15)11-21-16-9-8-13(17-18-16)12-5-2-1-3-6-12/h1-10H,11H2.
What are the key properties of 2-(6-phenylpyridazin-3-yl)sulfanyl-1-thiophen-2-ylethanone?
2-(6-phenylpyridazin-3-yl)sulfanyl-1-thiophen-2-ylethanone has a molecular weight of 312.42 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-phenylpyridazin-3-yl)sulfanyl-1-thiophen-2-ylethanone is sourced from PubChem (CID 7205744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).