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

C15H10ClFN2S2 — CID 20900473

IUPAC3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine
SMILESFc1cccc(Cl)c1CSc1ccc(-c2cccs2)nn1
InChIInChI=1S/C15H10ClFN2S2/c16-11-3-1-4-12(17)10(11)9-21-15-7-6-13(18-19-15)14-5-2-8-20-14/h1-8H,9H2
InChIKeyXDMIVUQKRLXXHM-UHFFFAOYSA-N
MW336.84 g/mol
LogP5.29
Rot. Bonds4

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

3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine (PubChem CID 20900473) has the molecular formula C15H10ClFN2S2 and a molecular weight of 336.84 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine
PubChem CID20900473
Molecular FormulaC15H10ClFN2S2
Molecular Weight336.84 g/mol
Exact Mass336.00
IUPAC Name3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine
SMILESFc1cccc(Cl)c1CSc1ccc(-c2cccs2)nn1
InChIInChI=1S/C15H10ClFN2S2/c16-11-3-1-4-12(17)10(11)9-21-15-7-6-13(18-19-15)14-5-2-8-20-14/h1-8H,9H2
InChIKeyXDMIVUQKRLXXHM-UHFFFAOYSA-N
XLogP5.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.84
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine (CID 20900473) is 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine is Fc1cccc(Cl)c1CSc1ccc(-c2cccs2)nn1.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine?
The InChIKey is XDMIVUQKRLXXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2S2/c16-11-3-1-4-12(17)10(11)9-21-15-7-6-13(18-19-15)14-5-2-8-20-14/h1-8H,9H2.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine?
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine has a molecular weight of 336.84 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-thiophen-2-ylpyridazine is sourced from PubChem (CID 20900473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).