4-(2-amino-5-phenyl-1,3,4-thiadiazol-3-ium-3-yl)butane-1-sulfonate
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4-(2-amino-5-phenyl-1,3,4-thiadiazol-3-ium-3-yl)butane-1-sulfonate
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CAS No:
300830-76-6
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Formula:
C12H15N3O3S2
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Chemical Name:
4-(2-amino-5-phenyl-1,3,4-thiadiazol-3-ium-3-yl)butane-1-sulfonate
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Synonyms:
AKOS034452184;MCULE-2572795716;Z56770207;2-amino-5-phenyl-3-(4-sulfobutyl)-1,3,4-thiadiazol-3-ium;300830-76-6
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CAS No:
4-(2-amino-5-phenyl-1,3,4-thiadiazol-3-ium-3-yl)butane-1-sulfonate Basic Attributes
313.4 g/mol
313.05548370 g/mol
Computed Properties
Molecular Weight:313.4
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:313.05548370
Monoisotopic Mass:313.05548370
Topological Polar Surface Area:137
Heavy Atom Count:20
Complexity:380
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 4-(2-amino-5-phenyl-1,3,4-thiadiazol-3-ium-3-yl)butane-1-sulfonate
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