3-[(3-methylphenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine

C16H14N2S2 — CID 12006192

IUPAC3-[(3-methylphenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine
SMILESCc1cccc(CSc2ccc(-c3cccs3)nn2)c1
InChIInChI=1S/C16H14N2S2/c1-12-4-2-5-13(10-12)11-20-16-8-7-14(17-18-16)15-6-3-9-19-15/h2-10H,11H2,1H3
InChIKeyVAYCVFPOMDYURN-UHFFFAOYSA-N
MW298.44 g/mol
LogP4.81
Rot. Bonds4

About 3-[(3-methylphenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine

3-[(3-methylphenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine (PubChem CID 12006192) has the molecular formula C16H14N2S2 and a molecular weight of 298.44 g/mol. Its IUPAC name is 3-[(3-methylphenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine.

Molecular Properties

Compound Name3-[(3-methylphenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine
PubChem CID12006192
Molecular FormulaC16H14N2S2
Molecular Weight298.44 g/mol
Exact Mass298.06
IUPAC Name3-[(3-methylphenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine
SMILESCc1cccc(CSc2ccc(-c3cccs3)nn2)c1
InChIInChI=1S/C16H14N2S2/c1-12-4-2-5-13(10-12)11-20-16-8-7-14(17-18-16)15-6-3-9-19-15/h2-10H,11H2,1H3
InChIKeyVAYCVFPOMDYURN-UHFFFAOYSA-N
XLogP4.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.44
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethylphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine
CID 43936851
2,4-dimethyl-5-[6-[(3-methylphenyl)methylsulfanyl]pyridazin-3-yl]-1,3-thiazole
CID 7222560
5-[6-[(3-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole
CID 27461242
3-[(3-methylphenyl)methylsulfanyl]-5-thiophen-2-yl-1H-1,2,4-triazole
CID 7857275
3-(4-ethoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine
CID 7205927
1-(4-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone
CID 30288651
3-[(3-methylphenyl)methylsulfanyl]-6-(4-pyrazol-1-ylphenyl)pyridazine
CID 41005999
6-[(3-methylphenyl)methylsulfanyl]pyridin-2-amine
CID 80652578
N-(4-methylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 20900437
5-[6-[(4-fluorophenyl)methylsulfanyl]pyridazin-3-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole
CID 43957420
N-(3-acetylphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 20900462
5-[(3-methylphenyl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 16576791

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine?
The IUPAC name of 3-[(3-methylphenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine (CID 12006192) is 3-[(3-methylphenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine.
What is the SMILES notation for 3-[(3-methylphenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine?
The canonical SMILES for 3-[(3-methylphenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine is Cc1cccc(CSc2ccc(-c3cccs3)nn2)c1.
What is the InChIKey of 3-[(3-methylphenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine?
The InChIKey is VAYCVFPOMDYURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S2/c1-12-4-2-5-13(10-12)11-20-16-8-7-14(17-18-16)15-6-3-9-19-15/h2-10H,11H2,1H3.
What are the key properties of 3-[(3-methylphenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine?
3-[(3-methylphenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine has a molecular weight of 298.44 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine is sourced from PubChem (CID 12006192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).