5-Methyl-3-phenylrhodanine

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Names

[ CAS No. ]:
1986-40-9

[ Name ]:
5-Methyl-3-phenylrhodanine

[Synonym ]:
3-Phenyl-5-methylrodanin
3-Phenyl-5-methylrhodanin
5-Methyl-3-phenyl-2-thioxo-thiazolidin-4-on
5-methyl-3-phenyl-2-thioxothiazolidin-4-one
Rhodanine,5-methyl-3-phenyl
5-Methyl-3-phenylrhodanine

Chemical & Physical Properties

[ Density]:
1.38g/cm3

[ Boiling Point ]:
326.2ºC at 760 mmHg

[ Molecular Formula ]:
C10H9NOS2

[ Molecular Weight ]:
223.31500

[ Flash Point ]:
151.1ºC

[ Exact Mass ]:
223.01300

[ PSA ]:
77.70000

[ LogP ]:
2.50480

[ Vapour Pressure ]:
0.000219mmHg at 25°C

[ Index of Refraction ]:
1.703

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
VI8440000
CHEMICAL NAME :
Rhodanine, 5-methyl-3-phenyl-
CAS REGISTRY NUMBER :
1986-40-9
BEILSTEIN REFERENCE NO. :
0167465
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C10-H9-N-O-S2
MOLECULAR WEIGHT :
223.32

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 19,558,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1125 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 24,33,1961

Synthetic Route

Precursor & DownStream

Precursor

  • Phenyl isothiocyanate
  • 2-Mercaptopropionic acid
  • Ethyl (2S)-2-bromopropanoate
  • Carbonic acid, trithio-, diester with 2-mercaptopropionic acid, (±)
  • 2-Bromopropionic Acid

DownStream


Related Compounds

  • 5-methyl-3-oxido-[1,2,5]oxadiazolo[3,4-c]quinolin-3-ium-4-one
  • 5-methyl-3-(morpholin-4-ylmethyl)-5-[(E)-2-phenylethenyl]imidazolidine-2,4-dione
  • (5-methyl-3-nitro-pyridin-2-yloxy)-acetic acid methyl ester
  • 5-methyl-3-(1-phenyl-ethyl)-3,5-dihydro-imidazol-4-one
  • (5-methyl-3-propylhex-5-en-1-ynoxy)-tri(propan-2-yl)silane
  • 5-methyl-3-phenylpyrrolidin-3-ol,hydrochloride
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • 5-(2,3,4-Trihydroxyphenyl)-1,2-oxazole-3-carboxylic acid
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide