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2D Structure

Thiourea Dioxide


  • SKU Code: CH138136
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Chemical Name - Thiourea Dioxide
Mol Weight - 108.121
Smiles - NC([NH2+]([O-])=O)=S
Property Name Property Value
Mol NameThiourea Dioxide
Molweight108.121
Monoisotopic Mass107.999348
Clogp-1.13
Clogs-1.233
H Acceptors4
H Donors2
Total Surface Area72.91
Relative Psa0.9354
Polar Surface Area117.84
Druglikeness-7.3362
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.66667
Molecular Flexibility0.72949
Molecular Complexity0.89588
Fragments1
Non H Atoms6
Non Ch Atoms5
Electronegative Atoms5
Sp3 Atoms2
Acidic Oxygens1
SmilesNC([NH2+]([O-])=O)=S
InChIKeyInChI=1S/CH4N2O2S/c2-1(6)3(4)5/h3H2,(H2,2,6)
InChIZXWATZFZBOGSBD-UHFFFAOYSA-N

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