Chem 2 Acetyl Thiophene 2 Pacific | Cheminformatics
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2D Structure

2 Acetyl Thiophene


  • SKU Code: CH139058
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Chemical Name - 2 Acetyl Thiophene
Mol Weight - 126.179
Smiles - CC(c1cccs1)=O
Property Name Property Value
Mol Name2 Acetyl Thiophene
Molweight126.179
Monoisotopic Mass126.013935
Clogp1.3974
Clogs-2.31
H Acceptors1
Total Surface Area99.21
Relative Psa0.33666
Polar Surface Area45.31
Druglikeness1.5398
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.625
Molecular Flexibility0.17548
Molecular Complexity0.69315
Fragments1
Non H Atoms8
Non Ch Atoms2
Electronegative Atoms2
Rotatable Bonds1
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms5
Sp3 Atoms1
SmilesCC(c1cccs1)=O
InChIKeyInChI=1S/C6H6OS/c1-5(7)6-3-2-4-8-6/h2-4H,1H3
InChIWYJOVVXUZNRJQY-UHFFFAOYSA-N

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