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Substance Name: Rhodanine, 3-(p-chlorophenyl)-5-methyl-
RN: 6012-92-6
InChIKey: IBWJXVVIEGGYGU-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Drug / Therapeutic Agent
  • Fungicide, Bactericide, Wood Preservative
  • Nematocide
  • Out-Dated Pesticide

Molecular Formula

  • C10-H8-Cl-N-O-S2

Molecular Weight

  • 257.764
 
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Names and Synonyms

Synonyms

  • 3-(p-Chlorophenyl)-5-methyl rhodanine
  • 3-(p-Chlorophenyl)-5-methylrhodanine
  • 4-27-00-03229 (Beilstein Handbook Reference)
  • BRN 0202323
  • N 244
  • N-244
  • NSC 43397
  • NSC 4747

Systematic Names

  • 4-Thiazolidinone, 3-(4-chlorophenyl)-5-methyl-2-thioxo- (9CI)
  • Rhodanine, 3-(p-chlorophenyl)-5-methyl-

Registry Numbers

CAS Registry Number

  • 6012-92-6

System Generated Number

  • 0006012926

Structure Descriptors

InChI

1S/C10H8ClNOS2/c1-6-9(13)12(10(14)15-6)8-4-2-7(11)3-5-8/h2-6H,1H3

InChIKey

IBWJXVVIEGGYGU-UHFFFAOYSA-N

Smiles

N1(c2ccc(Cl)cc2)C(S[C@@H](C1=O)C)=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 690mg/kg (690mg/kg)   Guide to the Chemicals Used in Crop Protection. Vol. 6, Pg. 116, 1973.
rat LDLo intraperitoneal 200mg/kg (200mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 558, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.680 (none)   EST
Water Solubility 786 mg/L 25 EST
Vapor Pressure 3.55E-08 mm Hg 25 EST
Henry's Law Constant 1.32E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.31E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.