5-[(4-butoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole
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5-[(4-butoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole
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CAS No:
57736-49-9
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Formula:
C13H17N3OS
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Chemical Name:
5-[(4-butoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole
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Synonyms:
SMR000070373;MLS000062098;3-[(4-butoxybenzyl)thio]-4H-1,2,4-triazole;Cambridge id 5916608;3-(4-Butoxy-benzylsulfanyl)-4H-[1,2,4]triazole;3-[(4-butoxybenzyl)sulfanyl]-4H-1,2,4-triazole;cid_572406;5-[(4-butoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole;CHEMBL1449719;BDBM71836;HMS2347H16;STK805893;ZINC13119925;AKOS000505297;CCG-110949;MCULE-1291557605;3-(4-Buthoxybenzylthio)-1,2,4-(4H)-triazole;5-[(4-butoxybenzyl)thio]-1H-1,2,4-triazole;AB00100717-01;5-[(4-butoxyphenyl)methylthio]-1H-1,2,4-triazole;Butyl 4-[(4H-1,2,4-triazol-3-ylsulfanyl)methyl]phenyl ether #;57736-49-9
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CAS No:
5-[(4-butoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole Basic Attributes
263.36 g/mol
263.10923335 g/mol
Computed Properties
Molecular Weight:263.36
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:263.10923335
Monoisotopic Mass:263.10923335
Topological Polar Surface Area:76.1
Heavy Atom Count:18
Complexity:222
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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