Methyl4-carbaMothioylbenzoate
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Methyl4-carbaMothioylbenzoate
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CAS No:
80393-38-0
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Formula:
C9H9NO2S
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Chemical Name:
Methyl4-carbaMothioylbenzoate
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Synonyms:
Methyl 4-carbaMothioylbenzoate;methyl 4-(aminothioxomethyl)benzoate;4-Thiocarbamoyl-benzoic acid methyl ester;Benzoic acid, 4-(aminothioxomethyl)-, methyl ester
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CAS No:
Characteristics
84.41000
1.80770
1.268±0.06 g/cm3
191-192 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
327.9±44.0 °C(Predicted)
12.13±0.29
Computed Properties
Molecular Weight:195.24
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:195.03539970
Monoisotopic Mass:195.03539970
Topological Polar Surface Area:84.4
Heavy Atom Count:13
Complexity:210
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of Methyl4-carbaMothioylbenzoate
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