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
  • 4-Methoxy-2-morpholinoaniline
  • 8-Chloroquinoline-3,4-diamine
  • 3-Amino-1-(4-methoxyphenyl)propan-1-one
  • (5-Bromo-1,2-benzothiazol-3-yl)methanamine
  • 1-Bromo-3-(propan-2-yloxy)propan-2-ol
  • N-(4-chlorobenzo[d]thiazol-2-yl)-N-(2-(dimethylamino)ethyl)-2-phenylacetamide hydrochloride
  • 1-(Methylamino)propane-2-sulfonyl chloride
  • N-(4-chlorobenzo[d]thiazol-2-yl)-N-(2-(dimethylamino)ethyl)-3-(phenylsulfonyl)propanamide hydrochloride
  • N-([1,3]dioxolo[4',5':4,5]benzo[1,2-d]thiazol-6-yl)-N-(2-(dimethylamino)ethyl)thiophene-2-carboxamide hydrochloride
  • N-([1,3]dioxolo[4',5':4,5]benzo[1,2-d]thiazol-6-yl)-5-bromo-N-(2-(dimethylamino)ethyl)thiophene-2-carboxamide hydrochloride
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