S-[(4-Bromophenyl)methyl] ethanethioate
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![S-[(4-Bromophenyl)methyl] ethanethioate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/122d053d75ec4e53936403e6dc2505de.png "S-[(4-Bromophenyl)methyl] ethanethioate")
S-[(4-Bromophenyl)methyl] ethanethioate
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CAS No:
351003-15-1
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Formula:
C9H9BrOS
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Chemical Name:
S-[(4-Bromophenyl)methyl] ethanethioate
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Synonyms:
Ethanethioic acid,S-[(4-bromophenyl)methyl] ester;S-[(4-Bromophenyl)methyl] ethanethioate;Thioacetic acid S-(4-bromobenzyl) ester
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CAS No:
Characteristics
42.37000
3.22880
1.476 g/mL at 25ºC(lit.)
106-108 °C0.01 mm Hg(lit.)
162 °F
n20/D 1.593(lit.)
Computed Properties
Molecular Weight:245.14
XLogP3:2.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:243.95575
Monoisotopic Mass:243.95575
Topological Polar Surface Area:42.4
Heavy Atom Count:12
Complexity:153
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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S-[(4-Bromophenyl)methyl] ethanethioate
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