Benzoic acid, 3-amino-5-(methylthio)-, methyl ester (9CI)
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Benzoic acid, 3-amino-5-(methylthio)-, methyl ester (9CI)
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CAS No:
730937-38-9
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Formula:
C9H11NO2S
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Chemical Name:
Benzoic acid, 3-amino-5-(methylthio)-, methyl ester (9CI)
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Synonyms:
SCHEMBL5219164;CTK9A2813;ZINC39084353;methyl 3-amino-5-(methylthio)benzoate;benzoic acid,3-amino-5-(methylthio)-,methyl ester
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CAS No:
Computed Properties
Molecular Weight:197.26
XLogP3:2
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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