3-[(4-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine

C15H11FN2S2 — CID 12006199

IUPAC3-[(4-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine
SMILESFc1ccc(CSc2ccc(-c3cccs3)nn2)cc1
InChIInChI=1S/C15H11FN2S2/c16-12-5-3-11(4-6-12)10-20-15-8-7-13(17-18-15)14-2-1-9-19-14/h1-9H,10H2
InChIKeySYCPSQYUCHONFO-UHFFFAOYSA-N
MW302.40 g/mol
LogP4.64
Rot. Bonds4

About 3-[(4-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine

3-[(4-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine (PubChem CID 12006199) has the molecular formula C15H11FN2S2 and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine
PubChem CID12006199
Molecular FormulaC15H11FN2S2
Molecular Weight302.40 g/mol
Exact Mass302.03
IUPAC Name3-[(4-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine
SMILESFc1ccc(CSc2ccc(-c3cccs3)nn2)cc1
InChIInChI=1S/C15H11FN2S2/c16-12-5-3-11(4-6-12)10-20-15-8-7-13(17-18-15)14-2-1-9-19-14/h1-9H,10H2
InChIKeySYCPSQYUCHONFO-UHFFFAOYSA-N
XLogP4.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine?
The IUPAC name of 3-[(4-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine (CID 12006199) is 3-[(4-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine.
What is the SMILES notation for 3-[(4-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine?
The canonical SMILES for 3-[(4-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine is Fc1ccc(CSc2ccc(-c3cccs3)nn2)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine?
The InChIKey is SYCPSQYUCHONFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2S2/c16-12-5-3-11(4-6-12)10-20-15-8-7-13(17-18-15)14-2-1-9-19-14/h1-9H,10H2.
What are the key properties of 3-[(4-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine?
3-[(4-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine has a molecular weight of 302.40 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine is sourced from PubChem (CID 12006199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).