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Substance Name: Benzeneethanamine, 2-(phenylthio)-, (Z)-2-butenedioate (1:1)
RN: 127876-78-2
InChIKey: PXAUXASAFQFWLK-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H15-N-S.C4-H4-O4

Molecular Weight

  • 345.4171
 
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Names and Synonyms

Synonyms

  • 2-(2-(Phenylthio)phenyl)ethylamine maleate
  • 2-(Phenylthio)benzeneethanamine (Z)-2-butenedioate (1:1)

Systematic Name

  • Benzeneethanamine, 2-(phenylthio)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 127876-78-2

System Generated Number

  • 0127876782

Molecular Formulas

Molecular Formula

  • C14-H15-N-S.C4-H4-O4

Molecular Formula Fragments

  • C14-H15-N-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C14H15NS.C4H4O4/c15-11-10-12-6-4-5-9-14(12)16-13-7-2-1-3-8-13;5-3(6)1-2-4(7)8/h1-9H,10-11,15H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

PXAUXASAFQFWLK-WLHGVMLRSA-N

Smiles

c1ccc(cc1)Sc2ccccc2CCN.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 834mg/kg (834mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 54, Pg. 1995, 1989.