4-Methyl-5-phenyl-4H-[1,2,4]triazole-3-thiol
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![4-Methyl-5-phenyl-4H-[1,2,4]triazole-3-thiol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/47c49e46f6914fc39b7d422a20e2fbe7.png "4-Methyl-5-phenyl-4H-[1,2,4]triazole-3-thiol")
4-Methyl-5-phenyl-4H-[1,2,4]triazole-3-thiol
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CAS No:
38942-51-7
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Formula:
C9H9N3S
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Chemical Name:
4-Methyl-5-phenyl-4H-[1,2,4]triazole-3-thiol
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Synonyms:
3H-1,2,4-Triazole-3-thione,2,4-dihydro-4-methyl-5-phenyl-;4H-1,2,4-Triazole-3-thiol,4-methyl-5-phenyl-;2,4-Dihydro-4-methyl-5-phenyl-3H-1,2,4-triazole-3-thione;G 32465;Geigy 32465;4-Methyl-3-phenyl-1,2,4-triazoline-5-thione;4-Methyl-5-phenyl-4H-[1,2,4]triazole-3-thiol;4-Methyl-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione;4-Methyl-5-phenyl-1,2,4-Triazole-3-thiol;32358-00-2
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CAS No:
4-Methyl-5-phenyl-4H-[1,2,4]triazole-3-thiol Basic Attributes
191.25
191.25
DTXSID00192237
2933990090
Characteristics
65.70000
2.14470
1.28±0.1 g/cm3
166 °C
270.1±23.0 °C(Predicted)
117.1ºC
1.68
23.6 [ug/mL]
8.92±0.20
Safety Information
IRRITANT
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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:191.26
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:191.05171847
Monoisotopic Mass:191.05171847
Topological Polar Surface Area:59.7
Heavy Atom Count:13
Complexity:243
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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