4-thiophen-3-yl-1H-pyridazine-6-thione

C8H6N2S2 — CID 106518491

IUPAC4-thiophen-3-yl-1H-pyridazine-6-thione
SMILESS=c1cc(-c2ccsc2)cn[nH]1
InChIInChI=1S/C8H6N2S2/c11-8-3-7(4-9-10-8)6-1-2-12-5-6/h1-5H,(H,10,11)
InChIKeyKYDYTBUXDRTIRN-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.87
Rot. Bonds1

About 4-thiophen-3-yl-1H-pyridazine-6-thione

4-thiophen-3-yl-1H-pyridazine-6-thione (PubChem CID 106518491) has the molecular formula C8H6N2S2 and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-thiophen-3-yl-1H-pyridazine-6-thione.

Molecular Properties

Compound Name4-thiophen-3-yl-1H-pyridazine-6-thione
PubChem CID106518491
Molecular FormulaC8H6N2S2
Molecular Weight194.28 g/mol
Exact Mass194.00
IUPAC Name4-thiophen-3-yl-1H-pyridazine-6-thione
SMILESS=c1cc(-c2ccsc2)cn[nH]1
InChIInChI=1S/C8H6N2S2/c11-8-3-7(4-9-10-8)6-1-2-12-5-6/h1-5H,(H,10,11)
InChIKeyKYDYTBUXDRTIRN-UHFFFAOYSA-N
XLogP2.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-(4-thiophen-3-ylphenyl)thiophene
CID 91665249
3-chloro-2-methyl-5-thiophen-3-ylpyridine
CID 123825784
cyclopenta[c]thiopyran
CID 584139
2-methyl-5-thiophen-3-ylpyrimidine
CID 143139185
5-thiophen-3-yl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 15504071
5,8-dimethyl-3-thiophen-3-ylquinoline
CID 10421743
5-thiophen-3-ylpyridine-3-carboxamide
CID 71303610
2-thiophen-3-yl-6H-pyrimido[4,5-d]pyridazin-5-one
CID 175947397
2-ethynyl-4-thiophen-3-ylthiophene
CID 122241615
2,5-di(thiophen-3-yl)-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 156613193
4-thiophen-3-ylphenol
CID 4130342
3-[4-(4-phenylphenyl)phenyl]thiophene
CID 102231125

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-3-yl-1H-pyridazine-6-thione?
The IUPAC name of 4-thiophen-3-yl-1H-pyridazine-6-thione (CID 106518491) is 4-thiophen-3-yl-1H-pyridazine-6-thione.
What is the SMILES notation for 4-thiophen-3-yl-1H-pyridazine-6-thione?
The canonical SMILES for 4-thiophen-3-yl-1H-pyridazine-6-thione is S=c1cc(-c2ccsc2)cn[nH]1.
What is the InChIKey of 4-thiophen-3-yl-1H-pyridazine-6-thione?
The InChIKey is KYDYTBUXDRTIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2S2/c11-8-3-7(4-9-10-8)6-1-2-12-5-6/h1-5H,(H,10,11).
What are the key properties of 4-thiophen-3-yl-1H-pyridazine-6-thione?
4-thiophen-3-yl-1H-pyridazine-6-thione has a molecular weight of 194.28 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-3-yl-1H-pyridazine-6-thione is sourced from PubChem (CID 106518491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).