2-(4-methyl-5-methylsulfanyl-6-thiophen-2-ylpyridazin-3-yl)ethanol

C12H14N2OS2 — CID 169224849

IUPAC2-(4-methyl-5-methylsulfanyl-6-thiophen-2-ylpyridazin-3-yl)ethanol
SMILESCSc1c(-c2cccs2)nnc(CCO)c1C
InChIInChI=1S/C12H14N2OS2/c1-8-9(5-6-15)13-14-11(12(8)16-2)10-4-3-7-17-10/h3-4,7,15H,5-6H2,1-2H3
InChIKeyOSHHEFRRWWYAGA-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.77
Rot. Bonds4

About 2-(4-methyl-5-methylsulfanyl-6-thiophen-2-ylpyridazin-3-yl)ethanol

2-(4-methyl-5-methylsulfanyl-6-thiophen-2-ylpyridazin-3-yl)ethanol (PubChem CID 169224849) has the molecular formula C12H14N2OS2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-(4-methyl-5-methylsulfanyl-6-thiophen-2-ylpyridazin-3-yl)ethanol.

Molecular Properties

Compound Name2-(4-methyl-5-methylsulfanyl-6-thiophen-2-ylpyridazin-3-yl)ethanol
PubChem CID169224849
Molecular FormulaC12H14N2OS2
Molecular Weight266.39 g/mol
Exact Mass266.05
IUPAC Name2-(4-methyl-5-methylsulfanyl-6-thiophen-2-ylpyridazin-3-yl)ethanol
SMILESCSc1c(-c2cccs2)nnc(CCO)c1C
InChIInChI=1S/C12H14N2OS2/c1-8-9(5-6-15)13-14-11(12(8)16-2)10-4-3-7-17-10/h3-4,7,15H,5-6H2,1-2H3
InChIKeyOSHHEFRRWWYAGA-UHFFFAOYSA-N
XLogP2.77
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-5-methylsulfanyl-6-thiophen-2-ylpyridazin-3-yl)ethanol?
The IUPAC name of 2-(4-methyl-5-methylsulfanyl-6-thiophen-2-ylpyridazin-3-yl)ethanol (CID 169224849) is 2-(4-methyl-5-methylsulfanyl-6-thiophen-2-ylpyridazin-3-yl)ethanol.
What is the SMILES notation for 2-(4-methyl-5-methylsulfanyl-6-thiophen-2-ylpyridazin-3-yl)ethanol?
The canonical SMILES for 2-(4-methyl-5-methylsulfanyl-6-thiophen-2-ylpyridazin-3-yl)ethanol is CSc1c(-c2cccs2)nnc(CCO)c1C.
What is the InChIKey of 2-(4-methyl-5-methylsulfanyl-6-thiophen-2-ylpyridazin-3-yl)ethanol?
The InChIKey is OSHHEFRRWWYAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS2/c1-8-9(5-6-15)13-14-11(12(8)16-2)10-4-3-7-17-10/h3-4,7,15H,5-6H2,1-2H3.
What are the key properties of 2-(4-methyl-5-methylsulfanyl-6-thiophen-2-ylpyridazin-3-yl)ethanol?
2-(4-methyl-5-methylsulfanyl-6-thiophen-2-ylpyridazin-3-yl)ethanol has a molecular weight of 266.39 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-5-methylsulfanyl-6-thiophen-2-ylpyridazin-3-yl)ethanol is sourced from PubChem (CID 169224849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).