2-(6-Phenylpyridazin-3-yl)sulfanyl-1-thiophen-2-ylethanone
Basic information
- CAS
872688-45-4- Standard SMILES
O=C(CSc1ccc(-c2ccccc2)nn1)c1cccs1- InChIKey
ZCTMFGPZGXXKJE-UHFFFAOYSA-N- Molecular formula
- C16H12N2OS2
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.03910536
Names & identifiers
- Preferred name
- 2-(6-Phenylpyridazin-3-yl)sulfanyl-1-thiophen-2-ylethanone
- IUPAC
- 2-(6-phenylpyridazin-3-yl)sulfanyl-1-thiophen-2-ylethanone
Names & synonyms
872688-45-42-(6-phenylpyridazin-3-yl)sulfanyl-1-thiophen-2-ylethanone2-[(6-phenylpyridazin-3-yl)sulfanyl]-1-(thiophen-2-yl)ethan-1-oneMLS000678570CHEMBL1612190DTXSID201329061HMS2712P17REGID_FOR_CID_7205744AKOS024618182SMR000323817SR-01000744210SR-01000744210-2
Show more names
F1899-00852-((6-phenylpyridazin-3-yl)thio)-1-(thiophen-2-yl)ethanone
Database identifiers
- CAS
872688-45-4- PubChem CID
- 7205744
- DTXSID
DTXSID201329061- ChEMBL
CHEMBL1612190
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 347
Experimental & physicochemical properties
Solubility0.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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