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Home > Encyclopedia > S-[1-(3-methoxy-4-phenylmethoxyphenyl)-2-nitroethyl] ethanethioate

S-[1-(3-methoxy-4-phenylmethoxyphenyl)-2-nitroethyl] ethanethioate

S-[1-(3-methoxy-4-phenylmethoxyphenyl)-2-nitroethyl] ethanethioate structure

S-[1-(3-methoxy-4-phenylmethoxyphenyl)-2-nitroethyl] ethanethioate 

structure
  • CAS No:

    102585-63-7

  • Formula:

    C18H19NO5S

  • Chemical Name:

    S-[1-(3-methoxy-4-phenylmethoxyphenyl)-2-nitroethyl] ethanethioate

  • 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

S-[1-(3-methoxy-4-phenylmethoxyphenyl)-2-nitroethyl] ethanethioate Basic Attributes

361.4 g/mol

361.09839388 g/mol

664263

Characteristics

107 Ų

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

Guide of S-[1-(3-methoxy-4-phenylmethoxyphenyl)-2-nitroethyl] ethanethioate

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