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Substance Name: 2-Thiophenecarboxylic acid, 4-chloro-2-methyl-5-(1-methylethyl)phenyl ester
RN: 36050-31-4
InChIKey: VRJMYKPCACBQKG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H15-Cl-O2-S

Molecular Weight

  • 294.801
 
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Names and Synonyms

Synonyms

  • 4-Chloro-2-methyl-5-(1-methylethyl)phenyl 2-thiophenecarboxylate
  • alpha-Thenoate chlorocarvacrol
  • alpha-Thenoate chlorocarvacrol [French]

Systematic Name

  • 2-Thiophenecarboxylic acid, 4-chloro-2-methyl-5-(1-methylethyl)phenyl ester

Registry Numbers

CAS Registry Number

  • 36050-31-4

System Generated Number

  • 0036050314

Structure Descriptors

InChI

1S/C15H15ClO2S/c1-9(2)11-8-13(10(3)7-12(11)16)18-15(17)14-5-4-6-19-14/h4-9H,1-3H3

InChIKey

VRJMYKPCACBQKG-UHFFFAOYSA-N

Smiles

c1(cccs1)C(=O)Oc1c(cc(c(c1)C(C)C)Cl)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2680mg/kg (2680mg/kg)   French Demande Patent Document. Vol. #2059958,