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Substance Name: Butanethioic acid, S-(5-((((4-bromophenyl)amino)thioxomethyl)amino)-1,3,4-thiadiazol-2-yl) ester
RN: 86911-02-6
InChIKey: ZIQSOOILEPNPAT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H13-Br-N4-O-S3

Molecular Weight

  • 417.3747
 
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Names and Synonyms

  • Butanethioic acid, S-(5-((((4-bromophenyl)amino)thioxomethyl)amino)-1,3,4-thiadiazol-2-yl) ester

Registry Numbers

CAS Registry Number

  • 86911-02-6

System Generated Number

  • 0086911026

Structure Descriptors

InChI

1S/C13H13BrN4OS3/c1-2-3-10(19)21-13-18-17-12(22-13)16-11(20)15-9-6-4-8(14)5-7-9/h4-7H,2-3H2,1H3,(H2,15,16,17,20)

InChIKey

ZIQSOOILEPNPAT-UHFFFAOYSA-N

Smiles

CCCC(=O)Sc1nnc(s1)NC(=S)Nc2ccc(cc2)Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Pharmacological Research Communications. Vol. 15, Pg. 253, 1983.