2-[(2-methylprop-2-enylcarbamothioylhydrazinylidene)methyl]benzoic acid
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![2-[(2-methylprop-2-enylcarbamothioylhydrazinylidene)methyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/8e7e1ce64afc459a94a18cad724fec64.png "2-[(2-methylprop-2-enylcarbamothioylhydrazinylidene)methyl]benzoic acid")
2-[(2-methylprop-2-enylcarbamothioylhydrazinylidene)methyl]benzoic acid
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CAS No:
556782-49-1
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Formula:
C13H15N3O2S
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Chemical Name:
2-[(2-methylprop-2-enylcarbamothioylhydrazinylidene)methyl]benzoic acid
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Synonyms:
AKOS034361084;MCULE-6800324986;Z44912552;2-[({[(2-methylprop-2-en-1-yl)carbamothioyl]amino}imino)methyl]benzoic acid;556782-49-1
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CAS No:
2-[(2-methylprop-2-enylcarbamothioylhydrazinylidene)methyl]benzoic acid Basic Attributes
277.34 g/mol
277.08849790 g/mol
Computed Properties
Molecular Weight:277.34
XLogP3:2.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:277.08849790
Monoisotopic Mass:277.08849790
Topological Polar Surface Area:106
Heavy Atom Count:19
Complexity:382
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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