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Home > Encyclopedia > S-(2-nitro-1-phenylethyl) ethanethioate

S-(2-nitro-1-phenylethyl) ethanethioate

S-(2-nitro-1-phenylethyl) ethanethioate structure

S-(2-nitro-1-phenylethyl) ethanethioate 

structure
  • CAS No:

    29651-81-8

  • Formula:

    C10H11NO3S

  • Chemical Name:

    S-(2-nitro-1-phenylethyl) ethanethioate

  • Synonyms:

    NSC134228;29651-81-8;CHEMBL1968446;DTXSID00299992;1-Acetylthio-1-phenyl-2-nitroethane;.alpha.-Toluenethiol,acetate (ester);NSC-134228;NCI60_000763;Acetic acid,S-[.alpha.-(nitromethyl)benzyl] ester;Ethanethioic acid,S-(2-nitro-1-phenylethyl) ester

S-(2-nitro-1-phenylethyl) ethanethioate Basic Attributes

225.27 g/mol

225.04596439 g/mol

134228

DTXSID00299992

Characteristics

88.2 Ų

Computed Properties

Molecular Weight:225.27
XLogP3:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:225.04596439
Monoisotopic Mass:225.04596439
Topological Polar Surface Area:88.2
Heavy Atom Count:15
Complexity:233
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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