Chem Thiophenol 2 | Cheminformatics
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2D Structure

Thiophenol


  • SKU Code: CH138594
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Chemical Name - Thiophenol
Mol Weight - 110.18
Smiles - Sc1ccccc1
Property Name Property Value
Mol NameThiophenol
Molweight110.18
Monoisotopic Mass110.01902
Clogp1.6006
Clogs-2.722
Total Surface Area89.12
Relative Psa0.2537
Polar Surface Area38.8
Druglikeness-4.5631
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritanthigh
Shape Index0.71429
Molecular Complexity0.64864
Fragments1
Non H Atoms7
Non Ch Atoms1
Electronegative Atoms1
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms1
Symmetric Atoms2
SmilesSc1ccccc1
InChIKeyInChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H
InChIRMVRSNDYEFQCLF-UHFFFAOYSA-N

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