4,5-bis(ethylsulfanyl)-2-phenylpyridazin-3-one

C14H16N2OS2 — CID 621902

IUPAC4,5-bis(ethylsulfanyl)-2-phenylpyridazin-3-one
SMILESCCSc1cnn(-c2ccccc2)c(=O)c1SCC
InChIInChI=1S/C14H16N2OS2/c1-3-18-12-10-15-16(11-8-6-5-7-9-11)14(17)13(12)19-4-2/h5-10H,3-4H2,1-2H3
InChIKeyRHIIWOOAQBPGAP-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.46
Rot. Bonds5

About 4,5-bis(ethylsulfanyl)-2-phenylpyridazin-3-one

4,5-bis(ethylsulfanyl)-2-phenylpyridazin-3-one (PubChem CID 621902) has the molecular formula C14H16N2OS2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 4,5-bis(ethylsulfanyl)-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4,5-bis(ethylsulfanyl)-2-phenylpyridazin-3-one
PubChem CID621902
Molecular FormulaC14H16N2OS2
Molecular Weight292.43 g/mol
Exact Mass292.07
IUPAC Name4,5-bis(ethylsulfanyl)-2-phenylpyridazin-3-one
SMILESCCSc1cnn(-c2ccccc2)c(=O)c1SCC
InChIInChI=1S/C14H16N2OS2/c1-3-18-12-10-15-16(11-8-6-5-7-9-11)14(17)13(12)19-4-2/h5-10H,3-4H2,1-2H3
InChIKeyRHIIWOOAQBPGAP-UHFFFAOYSA-N
XLogP3.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethylsulfanyl)-2-phenylpyridazin-3-one?
The IUPAC name of 4,5-bis(ethylsulfanyl)-2-phenylpyridazin-3-one (CID 621902) is 4,5-bis(ethylsulfanyl)-2-phenylpyridazin-3-one.
What is the SMILES notation for 4,5-bis(ethylsulfanyl)-2-phenylpyridazin-3-one?
The canonical SMILES for 4,5-bis(ethylsulfanyl)-2-phenylpyridazin-3-one is CCSc1cnn(-c2ccccc2)c(=O)c1SCC.
What is the InChIKey of 4,5-bis(ethylsulfanyl)-2-phenylpyridazin-3-one?
The InChIKey is RHIIWOOAQBPGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS2/c1-3-18-12-10-15-16(11-8-6-5-7-9-11)14(17)13(12)19-4-2/h5-10H,3-4H2,1-2H3.
What are the key properties of 4,5-bis(ethylsulfanyl)-2-phenylpyridazin-3-one?
4,5-bis(ethylsulfanyl)-2-phenylpyridazin-3-one has a molecular weight of 292.43 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethylsulfanyl)-2-phenylpyridazin-3-one is sourced from PubChem (CID 621902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).