Chem Benzenecarbothioamide | Cheminformatics
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2D Structure

Benzenecarbothioamide


  • SKU Code: CH137591
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Chemical Name - Benzenecarbothioamide
Mol Weight - 137.206
Smiles - NC(c1ccccc1)=S
Property Name Property Value
Mol NameBenzenecarbothioamide
Molweight137.206
Monoisotopic Mass137.029919
Clogp1.4448
Clogs-1.635
H Acceptors1
H Donors1
Total Surface Area114.49
Relative Psa0.37794
Polar Surface Area58.11
Druglikeness-2.0209
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.66667
Molecular Flexibility0.4098
Molecular Complexity0.62123
Fragments1
Non H Atoms9
Non Ch Atoms2
Electronegative Atoms2
Rotatable Bonds1
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms1
Symmetric Atoms2
SmilesNC(c1ccccc1)=S
InChIKeyInChI=1S/C7H7NS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
InChIQIOZLISABUUKJY-UHFFFAOYSA-N

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