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4-cyclopropyl-3-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione

4-cyclopropyl-3-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione structure

CAS No:
725710-47-4
Formula:
C11H10FN3S
Chemical Name:
4-cyclopropyl-3-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione
Synonyms:
4-cyclopropyl-5-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol;725710-47-4;4-cyclopropyl-3-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione;MLS001177881;CHEMBL1367871;ZINC6438558;AKOS017268878;MCULE-2063041883;NE12646;SMR000590752;EN300-08233;AB00716631-01;SR-01000038858;SR-01000038858-1;Z56877819

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4-cyclopropyl-3-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione Basic Attributes

Molecular Weight：

235.28 g/mol

Exact Mass：

235.05794667 g/mol

Characteristics

PSA：

59.7 Å²

Water Solubility：

31.2 [ug/mL]

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:235.28
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:235.05794667
Monoisotopic Mass:235.05794667
Topological Polar Surface Area:59.7
Heavy Atom Count:16
Complexity:340
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-cyclopropyl-3-(2-fluorophenyl)-1H-1,2,4-triazole-5-thione

Basic Attributes
Characteristics
Safety Information
Computed Properties

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