methyl 3-sulfanylbenzoate
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methyl 3-sulfanylbenzoate
structure -
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CAS No:
72886-42-1
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Formula:
C8H8O2S
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Chemical Name:
methyl 3-sulfanylbenzoate
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Synonyms:
Methyl 3-mercaptobenzoate; 3-(methoxycarbonyl)benzenethiol; 3-Mercapto-benzoesaeure-methylester; 3-(carboxymethyl)thiophenol; 3-Mercapto-benzoic Acid Methyl Ester;
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CAS No:
Characteristics
65.10000
1.76190
1.202g/cm3
266.4ºC
167.5ºC
1.574
Refrigerator, Under Inert Atmosphere
Computed Properties
Molecular Weight:168.21
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:168.02450067
Monoisotopic Mass:168.02450067
Topological Polar Surface Area:27.3
Heavy Atom Count:11
Complexity:147
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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