5-Bromo-3-(methylthio)-1H-1,2,4-triazole
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5-Bromo-3-(methylthio)-1H-1,2,4-triazole
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CAS No:
15777-62-5
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Formula:
C3H4BrN3S
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Chemical Name:
5-Bromo-3-(methylthio)-1H-1,2,4-triazole
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Synonyms:
1H-1,2,4-Triazole,5-bromo-3-(methylthio)-;s-Triazole,3-bromo-5-(methylthio)-;1H-1,2,4-Triazole,3-bromo-5-(methylthio)-;5-Bromo-3-(methylthio)-1H-1,2,4-triazole;3-Bromo-5-methylsulfanyl-1H-[1,2,4]triazole;3-Bromo-5-(methylsulfanyl)-4H-1,2,4-triazole
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CAS No:
5-Bromo-3-(methylthio)-1H-1,2,4-triazole Basic Attributes
194.05296
194.05
DTXSID30672491
2933990090
Safety Information
IRRITANT
|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:194.06
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:192.93093
Monoisotopic Mass:192.93093
Topological Polar Surface Area:66.9
Heavy Atom Count:8
Complexity:80.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
5-Bromo-3-(methylthio)-1H-1,2,4-triazole
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