Methallatal

Base Information

• Chemical Name: Methallatal
• CAS No.: 115-56-0
• Molecular Formula: C10H14 N2 O2 S
• Molecular Weight: 226.299
• Hs Code.: 2933599090
• European Community (EC) Number: 204-095-1
• NSC Number: 163315,77117,32328
• UNII: N60S305Q6P
• DSSTox Substance ID: DTXSID70150920
• Nikkaji Number: J9.345I
• Wikidata: Q27284595
• ChEMBL ID: CHEMBL2132121
• Mol file: 115-56-0.mol

Synonyms:METHALLATAL;115-56-0;Mosidal;V 12;5-Ethyl-5-(2-methylallyl)-2-thiobarbituric acid;5-ethyl-5-(2-methylprop-2-enyl)-2-sulfanylidene-1,3-diazinane-4,6-dione;5-Ethyldihydro-5-(2-methylallyl)-2-thioxo-1H,5H-pyrimidine-4,6-dione;UNII-N60S305Q6P;MLS002694021;N60S305Q6P;EINECS 204-095-1;NSC-32328;NSC-77117;NSC-163315;Ethyl-.beta.-methylallylthiobarbituric acid;Barbituric acid, 5-ethyl-5-(2-methylallyl)-2-thio-;4,6(1H,5H)-Pyrimidinedione, 5-ethyldihydro-5-(2-methyl-2-propenyl)-2-thioxo-;4,5H)-Pyrimidinedione, 5-ethyldihydro-5-(2-methyl-2-propenyl)-2-thioxo-;METHALLATAL [MI];SCHEMBL49217;CHEMBL2132121;DTXSID70150920;CHEBI:134930;XMQICEWOKPEQRG-UHFFFAOYSA-N;HMS3079D23;NSC32328;NSC77117;NSC 32328;NSC 77117;NSC163315;AKOS024332247;NSC 163315;SMR001559954;V-12;Q27284595;5-Ethyl-5-(2-methyl-2-propenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione;5-Ethyldihydro-5-(2-methyl-2-propenyl)-2-thioxo-4,6(1H,5H)-pyrimidinedione

Chemical Property of Methallatal

Chemical Property:

• Melting Point: 160-161°
• Refractive Index: 1.5650 (estimate)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 97.33000
• Density: 1.21g/cm³
• LogP: 1.05560
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 226.07759887
• Heavy Atom Count: 15
• Complexity: 329

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Ethyl-5-(2-methylprop-2-en-1-yl)-2-sulfanyl-1,4,5,6-tetrahydropyrimidine-4,6-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC1(C(=O)NC(=S)NC1=O)CC(=C)C

Technology Process of Methallatal

There total 1 articles about Methallatal which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

ethyl-(2-methyl-allyl)-malonic acid diethyl ester (56640-39-2) → 5-ethyl-5-(2-methyl-allyl)-2-thioxo-dihydro-pyrimidine-4,6-dione (115-56-0)

Guidance literature:

With sodium ethanolate; urea;

DOI:10.1021/ja01313a062

upstream raw materials:

ethyl-(2-methyl-allyl)-malonic acid diethyl ester