Butanoic acid,3-[2-(aminothioxomethyl)hydrazinylidene]-, ethyl ester

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Names

[ Name ]:
Butanoic acid,3-[2-(aminothioxomethyl)hydrazinylidene]-, ethyl ester

[Synonym ]:
3-Mercaptoquinoline
3-quinolinylmercaptan
Acetessigsaeure-aethylester-thiosemicarbazon
3-thiosemicarbazono-butyric acid ethyl ester
3-thioquinoline
3-Quinolinethiol
syn(CH3)-Acetessigester-thiosemicarbazon
Acetessigesterthiosemicarbazon
3-Thiosemicarbazono-buttersaeure-aethylester
Chinolin-3-thiol
Ethyl-3-oxobutyrat-3-thiosemicarbazon

Chemical & Physical Properties

[ Density]:
1.25g/cm3

[ Boiling Point ]:
312.7ºC at 760 mmHg

[ Molecular Formula ]:
C₇H₁₃N₃O₂S

[ Molecular Weight ]:
203.26200

[ Flash Point ]:
142.9ºC

[ Exact Mass ]:
203.07300

[ PSA ]:
108.80000

[ LogP ]:
1.23990

[ Vapour Pressure ]:
0.00052mmHg at 25°C

[ Index of Refraction ]:
1.554

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AK5450000

CHEMICAL NAME :: Acetoacetic acid, ethyl ester, 3-(thiosemicarbazone)

CAS REGISTRY NUMBER :: 1118-76-9

BEILSTEIN REFERENCE NO. :: 1788841

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C7-H13-N3-O2-S

MOLECULAR WEIGHT :: 203.29

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 75 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Behavioral - excitement

REFERENCE :: AITEAT Archivum Immunologiae et Therapiae Experimentalis. (Ars Polona, POB 1001, 00-068 Warsaw 1, Poland) V.10- 1962- Volume(issue)/page/year: 16,676,1968

Safety Information

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Thiosemicarbazide Hydrochloride
Ethyl acetoacetate
Thiosemicarbazide

DownStream

Butanoic acid,3-[2-(aminothioxomethyl)hydrazinylidene]-2-[2-(2,5-dimethoxyphenyl)hydrazinylidene]-,ethyl ester
Butanoic acid,3-[2-(aminothioxomethyl)hydrazinylidene]-2-(2-phenylhydrazinylidene)-, ethylester
Butanoic acid,3-[2-(aminothioxomethyl)hydrazinylidene]-2-[2-(2,6-dimethylphenyl)hydrazinylidene]-,ethyl ester
Butanoic acid,3-[2-(aminothioxomethyl)hydrazinylidene]-2-[2-(2-chloro-6-methylphenyl)hydrazinylidene]-,ethyl ester
Butanoic acid,3-[2-(aminothioxomethyl)hydrazinylidene]-2-[2-(2,5-dimethylphenyl)hydrazinylidene]-,ethyl ester
Butanoic acid,3-[2-(aminothioxomethyl)hydrazinylidene]-2-[2-(2-methoxyphenyl)hydrazinylidene]-,ethyl ester
Butanoic acid,3-[2-(aminothioxomethyl)hydrazinylidene]-2-[2-(2-methylphenyl)hydrazinylidene]-,ethyl ester
Butanoic acid,3-[2-(aminothioxomethyl)hydrazinylidene]-2-[2-(2-ethylphenyl)hydrazinylidene]-,ethyl ester
Butanoic acid,3-[2-(aminothioxomethyl)hydrazinylidene]-2-[2-(2,3-dimethylphenyl)hydrazinylidene]-,ethyl ester
Butanoic acid,3-[2-(aminothioxomethyl)hydrazinylidene]-2-[2-(3,5-dimethylphenyl)hydrazinylidene]-,ethyl ester

Customs

[ HS Code ]: 2930909090

[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Related Compounds

1-(2-Nitroethyl)-3-(propan-2-yl)benzene
5-(1H-imidazol-5-yl)-1-methyl-1H-pyrazole-4-carboxylic acid
[2,2-Dimethyl-1-(thiolan-3-yl)cyclopropyl]methanamine
3-(5-Methyl-1,2-oxazol-4-yl)propanenitrile
4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
rac-2-({[(1R,2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cycloheptyl]formamido}methyl)butanoic acid
tert-Butyl 6,8-dibromo-2H-pyrido[3,2-b][1,4]oxazine-4(3H)-carboxylate
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)-