Acetone thiosemicarbazone

Base Information

• Chemical Name: Acetone thiosemicarbazone
• CAS No.: 1752-30-3
• Molecular Formula: C4H9N3S
• Molecular Weight: 131.202
• Hs Code.: 2928.00
• European Community (EC) Number: 217-137-9
• NSC Number: 711
• UN Number: 2811
• UNII: C3U604L47F
• DSSTox Substance ID: DTXSID6044480
• Nikkaji Number: J38.356B
• Wikipedia: Acetone_thiosemicarbazone
• Wikidata: Q4673281
• ChEMBL ID: CHEMBL500557
• Mol file: 1752-30-3.mol

Synonyms:Acetone thiosemicarbazone;1752-30-3;Acetonethiosemicarbazone;Thiosemicarbazone acetone;ACETONE THIOSEMICARBAZIDE;Acetone, thiosemicarbazone;Hydrazinecarbothioamide, 2-(1-methylethylidene)-;2-(1-Methylethylidene)hydrazinecarbothioamide;Acetonthiosemikarbazon;(propan-2-ylideneamino)thiourea;NSC 711;(isopropylideneamino)thiourea;Acetonthiosemikarbazon [Czech];HSDB 6422;EINECS 217-137-9;UNII-C3U604L47F;AI3-22961;CHEMBL500557;DTXSID6044480;NSC-711;C3U604L47F;1-(Propan-2-ylidene)thiosemicarbazide;2-(propan-2-ylidene)hydrazinecarbothioamide;Dimethyl ketone thiosemicarbazone;D0X3SO;WLN: SUYZMNUY1&1;SCHEMBL233447;NSC711;DTXCID4024480;SCHEMBL19063125;FQUDPIIGGVBZEQ-UHFFFAOYSA-N;[(propan-2-ylidene)amino]thiourea;BAA75230;Tox21_304003;BDBM50268197;MFCD00022153;STL287939;1-(propan-2-yliden)thiosemicarbazide;AKOS001268691;AKOS006221176;ACETONE THIOSEMICARBAZIDE [HSDB];NCGC00338186-01;NCGC00357277-01;PD179083;CAS-1752-30-3;A0059;FT-0621805;D88204;AB01329842-02;EN300-7149586;A811962;Q4673281;Z57128338

Chemical Property of Acetone thiosemicarbazone

Chemical Property:

• Appearance/Colour: solid
• Vapor Pressure: 0.161mmHg at 25°C
• Melting Point: 174-175 °C
• Refractive Index: 1.569
• Boiling Point: 213.8 °C at 760 mmHg
• PKA: 12.20±0.70(Predicted)
• Flash Point: 83.1 °C
• PSA: 82.50000
• Density: 1.19 g/cm³
• LogP: 1.30660
• Solubility.: soluble in Acetone
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 131.05171847
• Heavy Atom Count: 8
• Complexity: 115
• Transport DOT Label: Poison

Purity/Quality:

98%min ^*data from raw suppliers

Acetone Thiosemicarbazone >97.0%(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R21:Harmful in contact with skin.; R25:Toxic if swallowed.; R26:Very toxic by inhalation.
• Hazard Codes: R21:Harmful in contact with skin.; R25:Toxic if swallowed.; R26:Very toxic by inhalation.
• Statements: 21-25-26
• Safety Statements: 22-28-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Other Nitrogen Compounds
• Canonical SMILES: CC(=NNC(=S)N)C

Technology Process of Acetone thiosemicarbazone

There total 5 articles about Acetone 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: 98.0%

thiosemicarbazide (79-19-6) + acetone (67-64-1) → Acetone thiosemicarbazone (1752-30-3)

Guidance literature:

Heating;

DOI:10.1002/ejic.200390035

Reference yield: 41.0%

→ Acetone thiosemicarbazone (1752-30-3)

Guidance literature:

Reference yield:

hydrazinium thiocyanate (24786-78-5) + acetone (67-64-1) → Acetone thiosemicarbazone (1752-30-3)

Guidance literature:

With hydrazine hydrate; In water; at 60 ℃; Temperature;

upstream raw materials:

thiosemicarbazide

acetone

sodium thiocyanide

propan-2-one azine

Downstream raw materials:

4-ethanesulfonyl-benzaldehyde-thiosemicarbazone

1-(4-phenylthiazol-2-yl)-2-(propan-2-ylidene)hydrazine

acetone-4-benzyl-thiosemicarbazone

2-Amino-4-benzoyl-5,5-dimethyl-4,5-dihydro-1,3,4-thiadiazol

Refernces

• 1、 Laczkowski, Krzysztof Z.,Misiura, Konrad,Biernasiuk, Anna,Malm, Anna,Grela, Izabela. "Synthesis and antimicrobial activities of novel 6-(1,3-thiazol-4-yl)-1,3- benzoxazol-2(3H)-one derivatives". . p. 41 - 46. Retrieved 2014.
• 2、 Paul, Piyali,Seth, Dipravath Kumar,Richmond, Michael G.,Bhattacharya, Samaresh. "Unusual chemical transformations of acetone thiosemicarbazone mediated by ruthenium: C-H bond activation, thiolation, and C-N bond cleavage". . p. 1432 - 1440. Retrieved 2014.
• 3、 Srivastava et al.. "". . p. 388. Retrieved 1976.
• 4、 -. "CHEMICAL ACTIVATORS OF NICOTINAMIDE MONONUCLEOTIDE ADENLYLY TRANSFERASE 2 (NMNAT2) AND USES THEREOF". Page/Page column 22-23; 28; 32. . Retrieved 2020/06/22.