4,6(1H,5H)-Pyrimidinedione,5,5-diethyldihydro-2-thioxo

Modify Date: 2025-08-27 13:22:53

4,6(1H,5H)-Pyrimidinedione,5,5-diethyldihydro-2-thioxo Structure
4,6(1H,5H)-Pyrimidinedione,5,5-diethyldihydro-2-thioxo structure
Common Name 4,6(1H,5H)-Pyrimidinedione,5,5-diethyldihydro-2-thioxo
CAS Number 77-32-7 Molecular Weight 200.25800
Density 1.26g/cm3 Boiling Point N/A
Molecular Formula C8H12N2O2S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 5,5-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.26g/cm3
Molecular Formula C8H12N2O2S
Molecular Weight 200.25800
Exact Mass 200.06200
PSA 90.29000
LogP 0.98130
Index of Refraction 1.568
InChIKey QGVNJRROSLYGKF-UHFFFAOYSA-N
SMILES CCC1(CC)C(=O)NC(=S)NC1=O

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CQ3880000
CHEMICAL NAME :
Barbituric acid, 5,5-diethyl-2-thio-
CAS REGISTRY NUMBER :
77-32-7
LAST UPDATED :
199209
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C8-H12-N2-O2-S
MOLECULAR WEIGHT :
200.28

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
175 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 97,478,1949
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JACSAT Journal of the American Chemical Society. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1879- Volume(issue)/page/year: 57,1961,1935

 Synthetic Route

 Bioassay

View more

Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
Name: AlphaScreen-based biochemical high throughput primary assay to identify activators of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: FBW7_ACT_ALPHA_1536_1X%ACT PRUN
Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
External Id: MITF_INH_Alpha_1536_1X%INH PRUN
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 Synonyms

5,5-Diaethyl-2-thio-barbitursaeure
5,5-diethyl-2-thioxo-dihydro-pyrimidine-4,6-dione
Sedothyron
Ibition
5,5-Diethyl-2-thiobarbituric acid
Thyreosedine
2-Thiobarbital
Thiobaral
2-thio-5,5-diethylbarbituric acid
Certodorm
Thiothyr
Thiobarbital
Thiobarbitone
Diethylthiobarbituric acid
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