5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine
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![5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b9db4c8045004446978f3062b801a7d2.png "5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine")
5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine
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CAS No:
782459-40-9
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Formula:
C17H14N4O4S2
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Chemical Name:
5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine
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Synonyms:
SMR000153340;MLS000566174;CHEMBL1500615;HMS2169D06;HMS3324M01;ZINC2627014;AKOS033940696;MCULE-8960282858;SR-01000056227;SR-01000056227-1;Z25402910;5-{[(6-nitro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-N-phenyl-1,3,4-thiadiazol-2-amine;782459-40-9
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CAS No:
5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine Basic Attributes
402.5 g/mol
402.04564729 g/mol
Computed Properties
Molecular Weight:402.5
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:402.04564729
Monoisotopic Mass:402.04564729
Topological Polar Surface Area:156
Heavy Atom Count:27
Complexity:506
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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