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Home > Encyclopedia > O-[(2S)-2-amino-3-phenylpropyl] N-phenylcarbamothioate

O-[(2S)-2-amino-3-phenylpropyl] N-phenylcarbamothioate

O-[(2S)-2-amino-3-phenylpropyl] N-phenylcarbamothioate structure

O-[(2S)-2-amino-3-phenylpropyl] N-phenylcarbamothioate 

structure
  • CAS No:

    118104-82-8

  • Formula:

    C16H18N2OS

  • Chemical Name:

    O-[(2S)-2-amino-3-phenylpropyl] N-phenylcarbamothioate

  • Synonyms:

    1-Amino-1-benzyl-2-mercaptoethane-S-phenylcarbamate; Carbaphethiol;

O-[(2S)-2-amino-3-phenylpropyl] N-phenylcarbamothioate Basic Attributes

286.39200

286.11398438

DTXSID30152006

Characteristics

86.41000

3.89080

1.221g/cm3

432.3ºC at 760 mmHg

215.3ºC

1.661

1.12E-07mmHg at 25°C

Drug Information

1-amino-1-benzyl-2-mercaptoethane-S-phenylcarbamate

Computed Properties

Molecular Weight:286.4
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:286.11398438
Monoisotopic Mass:286.11398438
Topological Polar Surface Area:79.4
Heavy Atom Count:20
Complexity:286
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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