3-benzyl-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
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3-benzyl-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
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CAS No:
21358-12-3
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Formula:
C12H13N3S
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Chemical Name:
3-benzyl-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
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Synonyms:
4-allyl-5-benzyl-4H-1,2,4-triazole-3-thiol; 5-benzyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol; 4-Allyl-5-benzyl-1,2,4-triazolinthion-3; 5-benzyl-4-allyl-1,2,4-triazole-3-thione; 4-allyl-5-benzyl-2,4-dihydro-[1,2,4]triazole-3-thione;
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CAS No:
3-benzyl-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Basic Attributes
231.31700
231.08301860 g/mol
DTXSID10358362
2933990090
Characteristics
69.51000
2.34360
1.17g/cm3
331.3ºC at 760 mmHg
154.2ºC
1.629
22.5 [ug/mL]
0.000157mmHg at 25°C
Computed Properties
Molecular Weight:231.32
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:231.08301860
Monoisotopic Mass:231.08301860
Topological Polar Surface Area:59.7
Heavy Atom Count:16
Complexity:305
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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