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4-(1,3-benzodioxol-5-yl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione

4-(1,3-benzodioxol-5-yl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione structure

CAS No:
728035-13-0
Formula:
C17H15N3O4S
Chemical Name:
4-(1,3-benzodioxol-5-yl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione
Synonyms:
MLS000331898;SMR000221389;4-Benzo[1,3]dioxol-5-yl-5-(3,5-dimethoxy-phenyl)-4H-[1,2,4]triazole-3-thiol;CHEMBL1343423;BDBM47744;cid_2028940;HMS2584A19;ZINC5894375;STK335808;STK851590;AKOS005441245;AKOS005630610;CCG-287899;MCULE-1682316635;4-(1,3-benzodioxol-5-yl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione;SR-01000305170;SR-01000305170-1;4-(1,3-benzodioxol-5-yl)-5-(3,5-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione;4-(1,3-benzodioxol-5-yl)-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol;728035-13-0

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4-(1,3-benzodioxol-5-yl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione Basic Attributes

Molecular Weight：

357.4 g/mol

Exact Mass：

357.07832714 g/mol

Characteristics

PSA：

96.6 Å²

Computed Properties

Molecular Weight:357.4
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:357.07832714
Monoisotopic Mass:357.07832714
Topological Polar Surface Area:96.6
Heavy Atom Count:25
Complexity:534
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(1,3-benzodioxol-5-yl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione

Basic Attributes
Characteristics
Computed Properties

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