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Substance Name: Benzoic acid, p-chlorothio-, S-2,3-epithiopropyl ester
RN: 109963-13-5
InChIKey: SZLZSEGHHKJSBT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H9-Cl-O-S2

Molecular Weight

  • 244.765
 
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Names and Synonyms

Synonyms

  • 5-17-03-00055 (Beilstein Handbook Reference)
  • BRL 649
  • BRN 1284886
  • p-Chlorothiobenzoic acid S-2,3-epithiopropyl ester

Systematic Name

  • Benzoic acid, p-chlorothio-, S-2,3-epithiopropyl ester

Registry Numbers

CAS Registry Number

  • 109963-13-5

System Generated Number

  • 0109963135

Structure Descriptors

InChI

1S/C10H9ClOS2/c11-8-3-1-7(2-4-8)10(12)14-6-9-5-13-9/h1-4,9H,5-6H2

InChIKey

SZLZSEGHHKJSBT-UHFFFAOYSA-N

Smiles

c1(C(SC[C@@H]2CS2)=O)ccc(Cl)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 15, Pg. 485, 1960.
mouse LD50 subcutaneous 200mg/kg (200mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 15, Pg. 485, 1960.