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Substance Name: Benzenecarbothioic acid, S-((4-(4-chlorophenyl)tetrahydro-2-oxo-3-furanyl)methyl ester
RN: 118164-95-7
InChIKey: LGCRVVNZDJJDSR-OEMAIJDKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H15-Cl-O3-S

Molecular Weight

  • 346.8325
 
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Names and Synonyms

Synonyms

  • alpha-Benzoylthiomethyl-beta-(p-chlorophenyl)-gamma-butyrolactone
  • S-(4-(4-Chlorophenyl)tetrahydro-2-oxo-3-furanyl)methyl benzenecarbothioate

Systematic Name

  • Benzenecarbothioic acid, S-((4-(4-chlorophenyl)tetrahydro-2-oxo-3-furanyl)methyl ester

Registry Numbers

CAS Registry Number

  • 118164-95-7

System Generated Number

  • 0118164957

Structure Descriptors

InChI

1S/C18H15ClO3S/c19-14-8-6-12(7-9-14)15-10-21-17(20)16(15)11-22-18(23)13-4-2-1-3-5-13/h1-9,15-16H,10-11H2/t15?,16-/m1/s1

InChIKey

LGCRVVNZDJJDSR-OEMAIJDKSA-N

Smiles

c1ccc(cc1)C(=S)OC[C@@H]2C(COC2=O)c3ccc(cc3)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 4gm/kg (4000mg/kg)   United States Patent Document. Vol. #4613613,