S-[1-(3-methoxy-4-phenylmethoxyphenyl)-2-nitroethyl] ethanethioate
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S-[1-(3-methoxy-4-phenylmethoxyphenyl)-2-nitroethyl] ethanethioate
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CAS No:
102585-63-7
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Formula:
C18H19NO5S
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Chemical Name:
S-[1-(3-methoxy-4-phenylmethoxyphenyl)-2-nitroethyl] ethanethioate
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Synonyms:
NSC664263;102585-63-7;Thioacetic acid, S-(alpha-nitromethyl-4-benzyloxy-3-methoxybenzyl) ester;Ethanethioic acid, S-(4-(benzyloxy)-3-methoxy-alpha-nitromethylbenzyl) ester;ACETIC ACID, THIO-, S-(4-(BENZYLOXY)-3-METHOXY-alpha-NITROMETHYLBENZYL) ESTER;CHEMBL2004970;DTXSID00907868;s-{1-[4-(benzyloxy)-3-methoxyphenyl]-2-nitroethyl} ethanethioate;NSC-664263;NCI60_022139;S-[1-(4-benzyloxy-3-methoxy-phenyl)-2-nitro-ethyl] ethanethioate;Thioacetic acid S-[4-(benzyloxy)-3-methoxy-alpha-(nitromethyl)benzyl] ester;S-(1-(4-(Benzyloxy)-3-methoxyphenyl)-2-(hydroxy(oxido)amino)ethyl) ethanethioate
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CAS No:
S-[1-(3-methoxy-4-phenylmethoxyphenyl)-2-nitroethyl] ethanethioate Basic Attributes
361.4 g/mol
361.09839388 g/mol
664263
Computed Properties
Molecular Weight:361.4
XLogP3:3.2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:361.09839388
Monoisotopic Mass:361.09839388
Topological Polar Surface Area:107
Heavy Atom Count:25
Complexity:436
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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