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

Modify Date: 2025-08-27 16:34:08

Butanoic acid,3-[2-(aminothioxomethyl)hydrazinylidene]-, ethyl ester Structure
Butanoic acid,3-[2-(aminothioxomethyl)hydrazinylidene]-, ethyl ester structure
 Common Name Butanoic acid,3-[2-(aminothioxomethyl)hydrazinylidene]-, ethyl ester
CAS Number 1118-76-9 Molecular Weight 203.26200
Density 1.25g/cm3 Boiling Point 312.7ºC at 760 mmHg
Molecular Formula C7H13N3O2S Melting Point N/A
MSDS N/A Flash Point 142.9ºC

 Names

Name acetoacetic acid, ethyl ester, thiosemicarbazone
Synonym More Synonyms

 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

Thiosemicarbazide Hydrochloride structure

Thiosemicarbazi...

CAS#:4346-94-5

Ethyl acetoacetate structure

Ethyl acetoacetate

CAS#:141-97-9

~%

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

Butanoic acid,3...

CAS#:1118-76-9

Literature: Garg; Sharma Journal of pharmaceutical sciences, 1970 , vol. 59, # 3 p. 348 - 353
Ethyl acetoacetate structure

Ethyl acetoacetate

CAS#:141-97-9

Thiosemicarbazide structure

Thiosemicarbazide

CAS#:79-19-6

~%

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

Butanoic acid,3...

CAS#:1118-76-9

Literature: DANA FARBER CANCER INSTITUTE, INC.; WALENSKY, Loren D. Patent: WO2013/55949 A2, 2013 ; Location in patent: Page/Page column 36 ;
Thiosemicarbazide Hydrochloride structure

Thiosemicarbazi...

CAS#:4346-94-5

~%

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

Butanoic acid,3...

CAS#:1118-76-9

Literature: Freund; Schander Chemische Berichte, 1902 , vol. 35, p. 2605 Full Text Show Details De Quart. J. indian chem. Soc., vol. 3, p. 32 Chem. Zentralbl., 1926 , vol. 97, # II p. 211
Ethyl acetoacetate structure

Ethyl acetoacetate

CAS#:141-97-9

~%

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

Butanoic acid,3...

CAS#:1118-76-9

Literature: Freund; Schander Chemische Berichte, 1902 , vol. 35, p. 2605

 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%

 Synonyms

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
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Chemsrc provides CAS#:1118-76-9 MSDS, density, melting point, boiling point, structure, etc. Its name is Butanoic acid,3-[2-(aminothioxomethyl)hydrazinylidene]-, ethyl ester>> amp version: Butanoic acid,3-[2-(aminothioxomethyl)hydrazinylidene]-, ethyl ester

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