7-phenylthieno[2,3-d]pyridazine

C12H8N2S — CID 12898431

IUPAC7-phenylthieno[2,3-d]pyridazine
SMILESc1ccc(-c2nncc3ccsc23)cc1
InChIInChI=1S/C12H8N2S/c1-2-4-9(5-3-1)11-12-10(6-7-15-12)8-13-14-11/h1-8H
InChIKeyPXNYACDMJKWJNW-UHFFFAOYSA-N
MW212.28 g/mol
LogP3.36
Rot. Bonds1

About 7-phenylthieno[2,3-d]pyridazine

7-phenylthieno[2,3-d]pyridazine (PubChem CID 12898431) has the molecular formula C12H8N2S and a molecular weight of 212.28 g/mol. Its IUPAC name is 7-phenylthieno[2,3-d]pyridazine.

Molecular Properties

Compound Name7-phenylthieno[2,3-d]pyridazine
PubChem CID12898431
Molecular FormulaC12H8N2S
Molecular Weight212.28 g/mol
Exact Mass212.04
IUPAC Name7-phenylthieno[2,3-d]pyridazine
SMILESc1ccc(-c2nncc3ccsc23)cc1
InChIInChI=1S/C12H8N2S/c1-2-4-9(5-3-1)11-12-10(6-7-15-12)8-13-14-11/h1-8H
InChIKeyPXNYACDMJKWJNW-UHFFFAOYSA-N
XLogP3.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-phenylthieno[2,3-d]pyridazine?
The IUPAC name of 7-phenylthieno[2,3-d]pyridazine (CID 12898431) is 7-phenylthieno[2,3-d]pyridazine.
What is the SMILES notation for 7-phenylthieno[2,3-d]pyridazine?
The canonical SMILES for 7-phenylthieno[2,3-d]pyridazine is c1ccc(-c2nncc3ccsc23)cc1.
What is the InChIKey of 7-phenylthieno[2,3-d]pyridazine?
The InChIKey is PXNYACDMJKWJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2S/c1-2-4-9(5-3-1)11-12-10(6-7-15-12)8-13-14-11/h1-8H.
What are the key properties of 7-phenylthieno[2,3-d]pyridazine?
7-phenylthieno[2,3-d]pyridazine has a molecular weight of 212.28 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylthieno[2,3-d]pyridazine is sourced from PubChem (CID 12898431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).