tert-butyl 2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
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tert-butyl 2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
structure -
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CAS No:
786719-47-9
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Formula:
C12H15N3O2S2
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Chemical Name:
tert-butyl 2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate
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Synonyms:
ZINC6459282;AKOS017008598;MCULE-6656452078;SR-01000058164;SR-01000058164-1;Z19450442;tert-butyl 2-{[5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate;786719-47-9
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CAS No:
tert-butyl 2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate Basic Attributes
297.4 g/mol
297.06056908 g/mol
Computed Properties
Molecular Weight:297.4
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:297.06056908
Monoisotopic Mass:297.06056908
Topological Polar Surface Area:121
Heavy Atom Count:19
Complexity:323
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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