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3-benzyl-4-(2,4-dimethylphenyl)-1H-1,2,4-triazole-5-thione

3-benzyl-4-(2,4-dimethylphenyl)-1H-1,2,4-triazole-5-thione structure

CAS No:
519152-02-4
Formula:
C17H17N3S
Chemical Name:
3-benzyl-4-(2,4-dimethylphenyl)-1H-1,2,4-triazole-5-thione
Synonyms:
5-benzyl-4-(2,4-dimethylphenyl)-4H-1,2,4-triazole-3-thiol;519152-02-4;MLS001004275;CHEMBL1362077;HMS2689D23;3-benzyl-4-(2,4-dimethylphenyl)-1H-1,2,4-triazole-5-thione;ZINC6183801;SBB038470;AKOS000116377;MCULE-5127988599;NE37061;SMR000347841;EN300-03384;Z56839777;4-(2,4-dimethylphenyl)-5-benzyl-1,2,4-triazole-3-thiol

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3-benzyl-4-(2,4-dimethylphenyl)-1H-1,2,4-triazole-5-thione Basic Attributes

Molecular Weight：

295.4 g/mol

Exact Mass：

295.11431873 g/mol

Characteristics

PSA：

59.7 Å²

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:295.4
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:295.11431873
Monoisotopic Mass:295.11431873
Topological Polar Surface Area:59.7
Heavy Atom Count:21
Complexity:414
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-benzyl-4-(2,4-dimethylphenyl)-1H-1,2,4-triazole-5-thione

Basic Attributes
Characteristics
Safety Information
Computed Properties

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