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Substance Name: Benzenecarbothioic acid, 4-((aminoiminomethyl)amino)-, S-(2,5-dichlorophenyl) ester, monomethanesulfonate
RN: 111910-49-7
InChIKey: OHMQCEFVLOVHDJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H11-Cl2-N3-O-S.C-H4-O3-S

Molecular Weight

  • 436.3385
 
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Names and Synonyms

  • Benzenecarbothioic acid, 4-((aminoiminomethyl)amino)-, S-(2,5-dichlorophenyl) ester, monomethanesulfonate

Registry Numbers

CAS Registry Number

  • 111910-49-7

System Generated Number

  • 0111910497

Molecular Formulas

Molecular Formula

  • C14-H11-Cl2-N3-O-S.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C14-H11-Cl2-N3-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C14H11Cl2N3OS.CH4O3S/c15-9-3-6-11(16)12(7-9)21-13(20)8-1-4-10(5-2-8)19-14(17)18;1-5(2,3)4/h1-7H,(H4,17,18,19);1H3,(H,2,3,4)

InChIKey

OHMQCEFVLOVHDJ-UHFFFAOYSA-N

Smiles

CS(=O)(=O)O.c1cc(ccc1C(=O)Sc2cc(ccc2Cl)Cl)NC(=N)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 50mg/kg (50mg/kg)   United States Patent Document. Vol. #4975464,