AKOS BBS-00003350
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AKOS BBS-00003350
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CAS No:
423741-70-2
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Formula:
C12H13N3S
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Chemical Name:
AKOS BBS-00003350
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Synonyms:
CHEMBRDG-BB 3003336;AKOS BBS-00003350;4-Allyl-5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol;Albb-003263;4-allyl-5-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol(SALTDATA: FREE);4-allyl-5-(2-methylphenyl)-2H-1,2,4-triazole-3-thione;5-(2-methylphenyl)-4-prop-2-enyl-2H-1,2,4-triazole-3-thione;BIM-0019239.P001
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CAS No:
Computed Properties
Molecular Weight:231.32
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:231.08301860
Monoisotopic Mass:231.08301860
Topological Polar Surface Area:59.7
Heavy Atom Count:16
Complexity:324
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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