4-(4-fluorophenyl)-3-[2-(4-hydroxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione
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4-(4-fluorophenyl)-3-[2-(4-hydroxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione
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CAS No:
217487-47-3
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Formula:
C16H14FN3OS
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Chemical Name:
4-(4-fluorophenyl)-3-[2-(4-hydroxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione
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Synonyms:
4-{2-[4-(4-fluorophenyl)-5-mercapto-4H-1,2,4-triazol-3-yl]ethyl}phenol; HMS542F16;
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CAS No:
4-(4-fluorophenyl)-3-[2-(4-hydroxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione Basic Attributes
315.36500
315.08416141
DTXSID80383843
Characteristics
89.74000
3.18590
1.34g/cm3
204ºC
475.9ºC at 760mmHg
241.6ºC
1.664
37.9 [ug/mL]
1.11E-09mmHg at 25°C
Computed Properties
Molecular Weight:315.4
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:315.08416141
Monoisotopic Mass:315.08416141
Topological Polar Surface Area:80
Heavy Atom Count:22
Complexity:429
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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