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Chem Tetrabenzylthiuram Disulfide | Cheminformatics

Tetrabenzylthiuram Disulfide


  • SKU Code: CH139666
Chemical Name - Tetrabenzylthiuram Disulfide
Mol Weight - 544.83
Smiles - S=C(N(Cc1ccccc1)Cc1ccccc1)SSC(N(Cc1ccccc1)Cc1ccccc1)=S
Property Name Property Value
Mol NameTetrabenzylthiuram Disulfide
Molweight544.83
Monoisotopic Mass544.113528
Clogp7.3902
Clogs-7.358
H Acceptors2
Total Surface Area428.58
Relative Psa0.22885
Polar Surface Area121.26
Druglikeness1.1675
Mutagenicnone
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Shape Index0.44444
Molecular Flexibility0.51414
Molecular Complexity0.66621
Fragments1
Non H Atoms36
Non Ch Atoms6
Electronegative Atoms6
Rotatable Bonds11
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms24
Sp3 Atoms8
Symmetric Atoms27
SmilesS=C(N(Cc1ccccc1)Cc1ccccc1)SSC(N(Cc1ccccc1)Cc1ccccc1)=S
InChIKeyInChI=1S/C30H28N2S4/c33-29(31(21-25-13-5-1-6-14-25)22-26-15-7-2-8-16-26)35-36-30(34)32(23-27-17-9-3-10-18-27)24-28-19-11-4-12-20-28/h1-20H,21-24H2
InChIWITDFSFZHZYQHB-UHFFFAOYSA-N

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1 - Tetrabenzylthiuram Disulfide
2 - Tetrabenzylthiuram Disulfide
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