Pyruvaldehyde bis(thiosemicarbazone)

Base Information

• Chemical Name: Pyruvaldehyde bis(thiosemicarbazone)
• CAS No.: 6139-38-4
• Molecular Formula: C₅H₁₀N₆S₂
• Molecular Weight: 218.307
• Hs Code.: 2930909090
• NSC Number: 22184
• ChEMBL ID: CHEMBL27015
• Mol file: 6139-38-4.mol

Synonyms:Pyruvaldehyde bis(thiosemicarbazone);6139-38-4;Pyruvaldehyde-bis-thiosemicarbazone;Pyruvaldehyde, bis(thiosemicarbazone);[(E)-[(1E)-1-(carbamothioylhydrazinylidene)propan-2-ylidene]amino]thiourea;NSC 22184;AI3-52880;Hydrazinecarbothioamide, 2,2'-(1-methyl-1,2-ethanediylidene)bis-;CHEMBL27015;SCHEMBL23793634;C5H10N6S2;STHSEWZEHYXRIB-CPJVMOPCSA-;NSC22184;C5-H10-N6-S2;NSC-22184;Pyruvaldehyde bis(thiosemicarbazone)(PTS);Hydrazinecarbothioamide,2'-(1-methyl-1,2-ethanediylidene)bis-;InChI=1/C5H10N6S2/c1-3(9-11-5(7)13)2-8-10-4(6)12/h2H,1H3,(H3,6,10,12)(H3,7,11,13)/b8-2+,9-3+

Chemical Property of Pyruvaldehyde bis(thiosemicarbazone)

Chemical Property:

• Vapor Pressure: 3.87E-06mmHg at 25°C
• Boiling Point: 385.2°C at 760 mmHg
• Flash Point: 186.8°C
• PSA: 165.00000
• Density: 1.53g/cm³
• LogP: 1.19690
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 218.04083669
• Heavy Atom Count: 13
• Complexity: 258

Purity/Quality:

99% ^*data from raw suppliers

PYRUVALDEHYDE-BIS-THIOSEMICARBAZONE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NNC(=S)N)C=NNC(=S)N
• Isomeric SMILES: C/C(=N\NC(=S)N)/C=N/NC(=S)N

Technology Process of Pyruvaldehyde bis(thiosemicarbazone)

There total 5 articles about Pyruvaldehyde bis(thiosemicarbazone) 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: 93.0%

thiosemicarbazide (79-19-6) + 2-oxopropanal (78-98-8) → methylglyoxal bis(thiosemicarbazone) (6139-38-4)

Guidance literature:

With sodium acetate; In water; for 0.5h; Heating;

DOI:10.1002/jps.2600690904

Reference yield: 50.0%

α-acetyloxyacrolein (69864-54-6) + thiosemicarbazide (79-19-6) → methylglyoxal bis(thiosemicarbazone) (6139-38-4)

Guidance literature:

With hydrogenchloride; In ethanol; water; at 60 ℃; for 0.25h;

DOI:10.1007/BF00949461

Reference yield:

Pyruvic aldehyde dimethyl acetal (6342-56-9) + thiosemicarbazide (79-19-6) → methylglyoxal bis(thiosemicarbazone) (6139-38-4)

Guidance literature:

With acetic acid; at 100 ℃; for 2h; Yield given; steam bath;

DOI:10.1016/S0040-4020(01)85624-6

upstream raw materials:

2-hydroxyimino-propionaldehyde oxime

thiosemicarbazide hydrochloride

Pyruvic aldehyde dimethyl acetal

thiosemicarbazide

Refernces

• 1、 Somogyi, Laszlo,Czugler, Matyas,Sohar, Pal. "Synthesis and stereostructure of some 5,5′-disubstituted 3-acetyl-2,2′-BI-2H-1,3,4-oxa(thia)diazolines". . p. 9355 - 9362. Retrieved 2007/10/02.
• 2、 Keiko, N. A.,Musorina, T. N.,Frolov, Yu. L.,Shulunova, A. M.,Chuvashov, Yu. A.,Voronkov, M. G.. "COMPARATIVE REACTIVITY OF α-ACETOXYACROLEIN AND α-ETHOXYACROLEIN". . p. 1634 - 1636. Retrieved 2007/10/02.