Benzoic acid, 3-amino-2-(methylthio)-, methyl ester (9CI)
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Benzoic acid, 3-amino-2-(methylthio)-, methyl ester (9CI)
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CAS No:
213176-56-8
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Formula:
C9H11NO2S
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Chemical Name:
Benzoic acid, 3-amino-2-(methylthio)-, methyl ester (9CI)
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Synonyms:
SCHEMBL15689276;ZINC39084443;methyl 3-amino-2(methylthio)benzoate;Methyl 3-amino-2-(methylthio)benzoate;methyl 3-amino-2-methylsulfanylbenzoate;Methyl 3-amino-2-(methylsulfanyl)benzoate;3-Amino-2-(methylthio)benzoicacidmethylester
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CAS No:
Computed Properties
Molecular Weight:197.26
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:197.05104977
Monoisotopic Mass:197.05104977
Topological Polar Surface Area:77.6
Heavy Atom Count:13
Complexity:187
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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