3-methylsulfanyl-6-thiophen-2-ylpyridazine

C9H8N2S2 — CID 6624067

IUPAC3-methylsulfanyl-6-thiophen-2-ylpyridazine
SMILESCSc1ccc(-c2cccs2)nn1
InChIInChI=1S/C9H8N2S2/c1-12-9-5-4-7(10-11-9)8-3-2-6-13-8/h2-6H,1H3
InChIKeyKJROCLNECYKWTM-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.93
Rot. Bonds2

About 3-methylsulfanyl-6-thiophen-2-ylpyridazine

3-methylsulfanyl-6-thiophen-2-ylpyridazine (PubChem CID 6624067) has the molecular formula C9H8N2S2 and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-methylsulfanyl-6-thiophen-2-ylpyridazine.

Molecular Properties

Compound Name3-methylsulfanyl-6-thiophen-2-ylpyridazine
PubChem CID6624067
Molecular FormulaC9H8N2S2
Molecular Weight208.31 g/mol
Exact Mass208.01
IUPAC Name3-methylsulfanyl-6-thiophen-2-ylpyridazine
SMILESCSc1ccc(-c2cccs2)nn1
InChIInChI=1S/C9H8N2S2/c1-12-9-5-4-7(10-11-9)8-3-2-6-13-8/h2-6H,1H3
InChIKeyKJROCLNECYKWTM-UHFFFAOYSA-N
XLogP2.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-6-thiophen-2-ylpyridazine?
The IUPAC name of 3-methylsulfanyl-6-thiophen-2-ylpyridazine (CID 6624067) is 3-methylsulfanyl-6-thiophen-2-ylpyridazine.
What is the SMILES notation for 3-methylsulfanyl-6-thiophen-2-ylpyridazine?
The canonical SMILES for 3-methylsulfanyl-6-thiophen-2-ylpyridazine is CSc1ccc(-c2cccs2)nn1.
What is the InChIKey of 3-methylsulfanyl-6-thiophen-2-ylpyridazine?
The InChIKey is KJROCLNECYKWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S2/c1-12-9-5-4-7(10-11-9)8-3-2-6-13-8/h2-6H,1H3.
What are the key properties of 3-methylsulfanyl-6-thiophen-2-ylpyridazine?
3-methylsulfanyl-6-thiophen-2-ylpyridazine has a molecular weight of 208.31 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-6-thiophen-2-ylpyridazine is sourced from PubChem (CID 6624067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).