Chem S Benzylthiuronium Chloride Molychem | Cheminformatics
2D Structure

S-Benzylthiuronium Chloride


  • SKU Code: CH141052
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Chemical Name - S-Benzylthiuronium Chloride
Mol Weight - 167.255
Smiles - NC(SCc1ccccc1)=[NH2+].[Cl-]
Property Name Property Value
Mol NameS-Benzylthiuronium Chloride
Molweight167.255
Monoisotopic Mass167.064293
Clogp1.5814
Clogs-2.104
H Acceptors2
H Donors2
Total Surface Area116.59
Relative Psa0.27112
Polar Surface Area76.91
Druglikeness-1.1108
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.72727
Molecular Flexibility0.61743
Molecular Complexity0.52781
Fragments2
Non H Atoms11
Non Ch Atoms3
Electronegative Atoms3
Rotatable Bonds3
Rings Closures1
Small Rings1
Aromatic Rings1
Aromatic Atoms6
Sp3 Atoms2
Symmetric Atoms2
Basic Nitrogens1
SmilesNC(SCc1ccccc1)=[NH2+].[Cl-]
InChIKeyInChI=1S/C8H10N2S.ClH/c9-8(10)11-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H3,9,10);1H
InChIWJAASTDRAAMYNK-UHFFFAOYSA-N

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