Thioethanyl

Modify Date: 2026-08-16 19:45:35

Thioethanyl Structure
Thioethanyl structure
Common Name Thioethanyl
CAS Number 4388-79-8 Molecular Weight 242.33800
Density 1.16g/cm3 Boiling Point N/A
Molecular Formula C11H18N2O2S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 5-ethyl-5-(3-methylbutyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.16g/cm3
Molecular Formula C11H18N2O2S
Molecular Weight 242.33800
Exact Mass 242.10900
PSA 90.29000
LogP 2.00750
Index of Refraction 1.544
InChIKey NGXZRVUMBBHGBE-UHFFFAOYSA-N
SMILES CCC1(CCC(C)C)C(=O)NC(=S)NC1=O

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CQ5350000
CHEMICAL NAME :
Barbituric acid, 5-ethyl-5-isopentyl-2-thio-
CAS REGISTRY NUMBER :
4388-79-8
BEILSTEIN REFERENCE NO. :
0211184
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C11-H18-N2-O2-S
MOLECULAR WEIGHT :
242.37
WISWESSER LINE NOTATION :
T6VMYMV FHJ CUS FY3&1 F2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1200 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: 60,189,1937
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
80 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: 60,189,1937
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Rectal
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
190 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: 60,189,1937

 Synthetic Route

~%

Thioethanyl Structure

Thioethanyl

CAS#:4388-79-8

Learn More
Literature: Parke, Davis and Co. Patent: US2153711 , 1934 ; Full Text Show Details Tabern; Volwiler Journal of the American Chemical Society, 1935 , vol. 57, p. 1961

 Precursor & DownStream

Precursor  1

DownStream  1

 ThioethanylBioassay

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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100
Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101
Name: Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas...
Source: Broad Institute
Target: N/A
External Id: 2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
Name: High throughput screen for small molecule inhibitors of a hypoxia-regulated fluoresce...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: N/A
External Id: HMS1149-MLP
Name: qHTS for Inhibitors of AMA1-RON; Towards Development of Antimalarial Drug Lead: Prima...
Source: NCGC
Target: apical membrane antigen 1, AMA1 [Plasmodium falciparum 3D7]
External Id: AMA1100
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 Synonyms

Ethylisoamylthiobarbituric acid
Barbituric acid,5-ethyl-5-isopentyl-2-thio
5-Ethyl-5-isoamylthiobarbituric acid
Thioamobarbital
5-Aethyl-5-isopentyl-2-thio-barbitursaeure
Thioethamyl
Thioethanyl
5-ethyl-5-isopentyl-2-thio-barbituric acid
Thioamytal
5-Ethyl-5-isoamyl-2-thiobarbitursaeure
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