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Substance Name: Rhodanine
RN: 141-84-4
UNII: 7O50LKL2G8
InChIKey: KIWUVOGUEXMXSV-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Drug / Therapeutic Agent
  • Fungicide, Bactericide, Wood Preservative
  • Skin / Eye Irritant

Molecular Formula

  • C3-H3-N-O-S2

Molecular Weight

  • 133.1947
 
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Names and Synonyms

Name of Substance

  • Rhodanine

MeSH Heading

  • Rhodanine

Synonyms

  • 2,4-Thiazolidinedione, 2-thio-
  • 2-Thio-4-ketothiazolidine
  • 2-Thioxo-4-thiazolidinone
  • 4-Oxo-2-thionothiazolidine
  • 4-Oxo-2-thiothiazolidin
  • 4-Oxo-2-thiothiazolidin [Czech]
  • 4-Oxo-2-thioxothiazoline
  • 4-Thiazolidinone, 2-thioxo-
  • 4-Thiazolidinone-2-thione
  • 4-Thioxo-4-thiazolidone
  • AI3-01384
  • CCRIS 4867
  • EINECS 205-505-1
  • HSDB 2087
  • NSC 1899
  • Rhodanic acid
  • Rhodanin
  • Rhodanin [Czech]
  • Rhodanine
  • Rhodaninic acid
  • Rodanin
  • UNII-7O50LKL2G8
  • USAF HA-2

Systematic Names

  • 4-Thiazolidinone, 2-thioxo-
  • Rhodanine

Superlist Name

  • Rhodanine

Registry Numbers

CAS Registry Number

  • 141-84-4

FDA UNII

  • 7O50LKL2G8

System Generated Number

  • 0000141844

Structure Descriptors

InChI

1S/C3H3NOS2/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)

InChIKey

KIWUVOGUEXMXSV-UHFFFAOYSA-N

Smiles

C1C(=O)NC(=S)S1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LD50 intravenous 32mg/kg (32mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04798,
mouse LD50 oral 225mg/kg (225mg/kg)   Farmatsevtichnii Zhurnal Vol. 17(1), Pg. 36, 1962.
mouse LDLo subcutaneous 200mg/kg (200mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 12, Pg. 447, 1904.
rat LD50 oral 320mg/kg (320mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1093, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 170 deg C   EXP
log P (octanol-water) -1.000 (none)   EST
Water Solubility 2250 mg/L 25 EXP
Atmospheric OH Rate Constant 1.07E-11 cm3/molecule-sec 25 EST

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