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

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Names

[ CAS No. ]:
1118-76-9

[ 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

  • 5-Chloro-1,4-dihydro-3(2H)-isoquinolinone
  • 1,3-dicyclopropyl-1H-pyrazol-4-amine
  • 4-Ethyl-2-methoxy-3-pyridinamine
  • 1H-Thieno[3,2-c]pyrazole-5-carbaldehyde
  • 2-(Chloromethyl)-1,6-dihydro-6-oxo-5-pyrimidinecarboxylic acid
  • 2-Methoxy-4-(1H-pyrazol-1-yl)-1,3-thiazole-5-carbaldehyde
  • Methyl 2-amino-2-(2-methyl-1,3-thiazol-5-yl)acetate
  • (3S)-3-Amino-3-(2-methyl-1,3-thiazol-5-yl)propanamide
  • Methyl 3-bromofuro[2,3-c]pyridine-5-carboxylate
  • Furo[2,3-c]pyridine-5-carboxylic acid, 7-chloro-3-ethyl-2,3-dihydro-, methyl ester
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