3-ethylsulfanyl-6-phenylpyridazine

C12H12N2S — CID 7205687

IUPAC3-ethylsulfanyl-6-phenylpyridazine
SMILESCCSc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C12H12N2S/c1-2-15-12-9-8-11(13-14-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyIVPVUIHVXNYQJU-UHFFFAOYSA-N
MW216.31 g/mol
LogP3.26
Rot. Bonds3

About 3-ethylsulfanyl-6-phenylpyridazine

3-ethylsulfanyl-6-phenylpyridazine (PubChem CID 7205687) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 3-ethylsulfanyl-6-phenylpyridazine.

Molecular Properties

Compound Name3-ethylsulfanyl-6-phenylpyridazine
PubChem CID7205687
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC Name3-ethylsulfanyl-6-phenylpyridazine
SMILESCCSc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C12H12N2S/c1-2-15-12-9-8-11(13-14-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyIVPVUIHVXNYQJU-UHFFFAOYSA-N
XLogP3.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-6-phenylpyridazine?
The IUPAC name of 3-ethylsulfanyl-6-phenylpyridazine (CID 7205687) is 3-ethylsulfanyl-6-phenylpyridazine.
What is the SMILES notation for 3-ethylsulfanyl-6-phenylpyridazine?
The canonical SMILES for 3-ethylsulfanyl-6-phenylpyridazine is CCSc1ccc(-c2ccccc2)nn1.
What is the InChIKey of 3-ethylsulfanyl-6-phenylpyridazine?
The InChIKey is IVPVUIHVXNYQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S/c1-2-15-12-9-8-11(13-14-12)10-6-4-3-5-7-10/h3-9H,2H2,1H3.
What are the key properties of 3-ethylsulfanyl-6-phenylpyridazine?
3-ethylsulfanyl-6-phenylpyridazine has a molecular weight of 216.31 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-6-phenylpyridazine is sourced from PubChem (CID 7205687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).