1-thiophen-2-yl-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone

C14H10N2OS3 — CID 7207253

IUPAC1-thiophen-2-yl-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone
SMILESO=C(CSc1ccc(-c2cccs2)nn1)c1cccs1
InChIInChI=1S/C14H10N2OS3/c17-11(13-4-2-8-19-13)9-20-14-6-5-10(15-16-14)12-3-1-7-18-12/h1-8H,9H2
InChIKeyBUEYTYZOCKWHHR-UHFFFAOYSA-N
MW318.45 g/mol
LogP4.24
Rot. Bonds5

About 1-thiophen-2-yl-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone

1-thiophen-2-yl-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone (PubChem CID 7207253) has the molecular formula C14H10N2OS3 and a molecular weight of 318.45 g/mol. Its IUPAC name is 1-thiophen-2-yl-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone.

Molecular Properties

Compound Name1-thiophen-2-yl-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone
PubChem CID7207253
Molecular FormulaC14H10N2OS3
Molecular Weight318.45 g/mol
Exact Mass318.00
IUPAC Name1-thiophen-2-yl-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone
SMILESO=C(CSc1ccc(-c2cccs2)nn1)c1cccs1
InChIInChI=1S/C14H10N2OS3/c17-11(13-4-2-8-19-13)9-20-14-6-5-10(15-16-14)12-3-1-7-18-12/h1-8H,9H2
InChIKeyBUEYTYZOCKWHHR-UHFFFAOYSA-N
XLogP4.24
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone?
The IUPAC name of 1-thiophen-2-yl-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone (CID 7207253) is 1-thiophen-2-yl-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone.
What is the SMILES notation for 1-thiophen-2-yl-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone?
The canonical SMILES for 1-thiophen-2-yl-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone is O=C(CSc1ccc(-c2cccs2)nn1)c1cccs1.
What is the InChIKey of 1-thiophen-2-yl-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone?
The InChIKey is BUEYTYZOCKWHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2OS3/c17-11(13-4-2-8-19-13)9-20-14-6-5-10(15-16-14)12-3-1-7-18-12/h1-8H,9H2.
What are the key properties of 1-thiophen-2-yl-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone?
1-thiophen-2-yl-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone has a molecular weight of 318.45 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone is sourced from PubChem (CID 7207253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).