N-Phenylrhodanine

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Names

[ CAS No. ]:
1457-46-1

[ Name ]:
N-Phenylrhodanine

[Synonym ]:
N-PHENYL-RHODANINE
3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
EINECS 215-940-9

Chemical & Physical Properties

[ Density]:
1.45g/cm3

[ Boiling Point ]:
322ºC at 760mmHg

[ Melting Point ]:
190-194ºC

[ Molecular Formula ]:
C₉H₇NOS₂

[ Molecular Weight ]:
209.28800

[ Flash Point ]:
148.5ºC

[ Exact Mass ]:
208.99700

[ PSA ]:
77.70000

[ LogP ]:
2.11630

[ Vapour Pressure ]:
0.000288mmHg at 25°C

[ Index of Refraction ]:
1.736

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: VI8465000

CHEMICAL NAME :: Rhodanine, 3-phenyl-

CAS REGISTRY NUMBER :: 1457-46-1

BEILSTEIN REFERENCE NO. :: 0151293

LAST UPDATED :: 199701

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C9-H7-N-O-S2

MOLECULAR WEIGHT :: 209.29

WISWESSER LINE NOTATION :: T5SYNV EHJ BUS CR

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 :: 1233 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

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 120 mg/kg

TOXIC EFFECTS :: Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Behavioral - muscle weakness

REFERENCE :: AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 126,303,1960

Safety Information

[ Hazard Codes ]:
Xi: Irritant;

[ HS Code ]:
2934999090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Acetic acid,2,2'-[carbonothioylbis(thio)]bis-
Carbon disulphide
Chloroacetic acid
Phenyl isothiocyanate
Mercaptoacetic acid
Methyl thioglycolate
Carbamodithioic acid,N-phenyl-, ammonium salt (1:1)
Chloroacetyl chloride
5-bromo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

DownStream

3-phenyl-5-phenyldiazenyl-2-sulfanylidene-1,3-thiazolidin-4-one
Hydrazinecarbothioamide,N,2-diphenyl-
Phenyl isothiocyanate
Benzonitrile,4-[(4-oxo-3-phenyl-2-thioxo-5-thiazolidinylidene)methyl]-
2-Propenoic acid,2-cyano-3-[4-[(4-oxo-3-phenyl-2-thioxo-5-thiazolidinylidene)methyl]phenyl]-,ethyl ester
Propanedinitrile,2-[[4-[(4-oxo-3-phenyl-2-thioxo-5-thiazolidinylidene)methyl]phenyl]methylene]-
4-phenyl-3-thiosemicarbazide
(5E)-5-benzylidene-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
4-Thiazolidinone,5-[(4-hydroxyphenyl)methylene]-3-phenyl-2-thioxo-
5-[(4-nitrophenyl)diazenyl]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

Customs

[ HS Code ]: 2934999090

[ Summary ]:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

N,N'-bis[2-(3,4-dimethoxyphenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine
N-octanoyl benzotriazole
N-[4-[(6-chloro-[1,3]dioxolo[4,5-b]acridin-10-yl)amino]-3-methoxyphenyl]methanesulfonamide
N-(diaminomethylidene)pyrrolidine-1-carboximidamide,hydrochloride
N-phenyl-[1,3]dioxolo[4,5-b]acridin-10-amine
N-[bis(diethylamino)silyl]-N-ethylethanamine
(9H-fluoren-9-yl)methyl N-[3-(dimethylamino)-2-hydroxypropyl]-N-methylcarbamate
N-(3-fluoropiperidin-4-yl)-2-methoxy-2-methylpropanamide
(9H-fluoren-9-yl)methyl N-{[4-(hydroxymethyl)oxolan-2-yl]methyl}carbamate
rac-(9H-fluoren-9-yl)methyl N-[(1R,2R,4R)-1-(hydroxymethyl)bicyclo[2.2.1]heptan-2-yl]carbamate
(9H-fluoren-9-yl)methyl (2R)-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylate
(9H-fluoren-9-yl)methyl (2S)-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylate
9H-fluoren-9-ylmethyl (3R)-3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
(9H-fluoren-9-yl)methyl 3-(4-bromophenyl)-3-hydroxypyrrolidine-1-carboxylate
Benzyl 3-(3-hydroxyazetidin-1-yl)piperidine-1-carboxylate
(9H-fluoren-9-yl)methyl N-(3-ethynyl-3-hydroxycyclohexyl)carbamate

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