3-bromo-5H-thieno[2,3-d]pyridazin-4-one;ethane

C8H9BrN2OS — CID 145329660

IUPAC3-bromo-5H-thieno[2,3-d]pyridazin-4-one;ethane
SMILESCC.O=c1[nH]ncc2scc(Br)c12
InChIInChI=1S/C6H3BrN2OS.C2H6/c7-3-2-11-4-1-8-9-6(10)5(3)4;1-2/h1-2H,(H,9,10);1-2H3
InChIKeyJFMJTTQIPHZDIG-UHFFFAOYSA-N
MW261.14 g/mol
LogP2.77
Rot. Bonds

About 3-bromo-5H-thieno[2,3-d]pyridazin-4-one;ethane

3-bromo-5H-thieno[2,3-d]pyridazin-4-one;ethane (PubChem CID 145329660) has the molecular formula C8H9BrN2OS and a molecular weight of 261.14 g/mol. Its IUPAC name is 3-bromo-5H-thieno[2,3-d]pyridazin-4-one;ethane.

Molecular Properties

Compound Name3-bromo-5H-thieno[2,3-d]pyridazin-4-one;ethane
PubChem CID145329660
Molecular FormulaC8H9BrN2OS
Molecular Weight261.14 g/mol
Exact Mass259.96
IUPAC Name3-bromo-5H-thieno[2,3-d]pyridazin-4-one;ethane
SMILESCC.O=c1[nH]ncc2scc(Br)c12
InChIInChI=1S/C6H3BrN2OS.C2H6/c7-3-2-11-4-1-8-9-6(10)5(3)4;1-2/h1-2H,(H,9,10);1-2H3
InChIKeyJFMJTTQIPHZDIG-UHFFFAOYSA-N
XLogP2.77
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.14
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5H-thieno[2,3-d]pyridazin-4-one;ethane?
The IUPAC name of 3-bromo-5H-thieno[2,3-d]pyridazin-4-one;ethane (CID 145329660) is 3-bromo-5H-thieno[2,3-d]pyridazin-4-one;ethane.
What is the SMILES notation for 3-bromo-5H-thieno[2,3-d]pyridazin-4-one;ethane?
The canonical SMILES for 3-bromo-5H-thieno[2,3-d]pyridazin-4-one;ethane is CC.O=c1[nH]ncc2scc(Br)c12.
What is the InChIKey of 3-bromo-5H-thieno[2,3-d]pyridazin-4-one;ethane?
The InChIKey is JFMJTTQIPHZDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN2OS.C2H6/c7-3-2-11-4-1-8-9-6(10)5(3)4;1-2/h1-2H,(H,9,10);1-2H3.
What are the key properties of 3-bromo-5H-thieno[2,3-d]pyridazin-4-one;ethane?
3-bromo-5H-thieno[2,3-d]pyridazin-4-one;ethane has a molecular weight of 261.14 g/mol, XLogP of 2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5H-thieno[2,3-d]pyridazin-4-one;ethane is sourced from PubChem (CID 145329660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).