4-Methylthiosemicarbazide

Base Information

• Chemical Name: 4-Methylthiosemicarbazide
• CAS No.: 6610-29-3
• Molecular Formula: C2H7N3S
• Molecular Weight: 105.164
• Hs Code.: 2930909090
• European Community (EC) Number: 229-563-2
• NSC Number: 56911
• UNII: PK83E1T776
• DSSTox Substance ID: DTXSID7044390
• Nikkaji Number: J62.795J
• Wikipedia: 4-Methyl-3-thiosemicarbazide
• Wikidata: Q15410214
• ChEMBL ID: CHEMBL3182946
• Mol file: 6610-29-3.mol

Synonyms:4-Methylthiosemicarbazide;6610-29-3;4-Methyl-3-thiosemicarbazide;N-METHYLHYDRAZINECARBOTHIOAMIDE;1-amino-3-methylthiourea;Hydrazinecarbothioamide, N-methyl-;Methylthiosemicarbazide;Semicarbazide, 4-methyl-3-thio-;1-Methyl-2-thiosemicarbazide;N-Methylthiosemicarbazide;B 1130;4-METHYL THIOSEMICARBAZIDE;4-Methylhydrazinecarbothioamide;DTXSID7044390;EINECS 229-563-2;NSC 56911;UNII-PK83E1T776;PK83E1T776;MFCD00007617;NSC-56911;EC 229-563-2;3-amino-1-methylthiourea;4methylthiosemicarbazide;4-methylthiosemicarbazid;N-methyl-thiosemicarbazide;4-methyl-thiosemicarbazide;?4-Methylthiosemicarbazide;4-methyl-3-thiosemicarbazid;SCHEMBL379153;N-methylhydrazine carbothioamide;SCHEMBL8126729;CHEMBL3182946;DTXCID5024390;SCHEMBL16701346;N-Methylhydrazinecarbothioamide #;4-N-METHYLTHIOSEMICARBAZIDE;NSC56911;Tox21_302172;4-Methyl-3-thiosemicarbazide, 97%;BBL003412;STK803213;AKOS000119687;CS-W013678;NCGC00255773-01;LS-76536;VS-01324;CAS-6610-29-3;A8934;FT-0618972;M0289;EN300-20028;D77757;W-104771;Q15410214;F8881-5731

Chemical Property of 4-Methylthiosemicarbazide

Chemical Property:

• Appearance/Colour: white to almost white crystalline powder
• Vapor Pressure: 0Pa at 25℃
• Melting Point: 135-138 °C(lit.)
• Refractive Index: 1.553
• Boiling Point: 168.4 °C at 760 mmHg
• PKA: 11.45±0.70(Predicted)
• Flash Point: 55.6 °C
• PSA: 82.17000
• Density: 1.197 g/cm³
• LogP: 0.43610
• Storage Temp.: Poison room
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: Soluble in alcohol. Slightly soluble in water.
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 105.03606841
• Heavy Atom Count: 6
• Complexity: 52.8

Purity/Quality:

99% ^*data from raw suppliers

4-Methylthiosemicarbazide 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+
• Statements: 28
• Safety Statements: 45-28A-1

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CNC(=S)NN
• Uses: 4-Methyl-3-thiosemicarbazide is used in the analysis of electronic features of sulfur-using high-resolution, low-temperature X-ray diffraction data sets. Further, it acts as an intermediate in organic synthesis.

Technology Process of 4-Methylthiosemicarbazide

There total 14 articles about 4-Methylthiosemicarbazide 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: 85.0%

methyl thioisocyanate (556-61-6) → 4-methylthiosemicarbazide (6610-29-3)

Guidance literature:

With hydrazine hydrate; In isopropyl alcohol; at 0 - 20 ℃; for 1.5h;

DOI:10.1016/j.bioorg.2018.09.003

Reference yield: 81.0%

carbon disulfide (75-15-0,12122-00-8) + methylamine (74-89-5) → 4-methylthiosemicarbazide (6610-29-3)

Guidance literature:

carbon disulfide; methylamine; In ethanol; ammonia; Cooling with ice;

With sodium monochloroacetic acid; hydrazine hydrate; In ethanol; ammonia; water;

DOI:10.1080/17415991003668186

Reference yield: 30.0%

hydrazinecarbodithioic acid methyl ester (5397-03-5) + methylamine (74-89-5) → 4-methylthiosemicarbazide (6610-29-3)

Guidance literature:

In water; for 4.5h; Heating;

DOI:10.1002/jhet.5570420705

upstream raw materials:

methyl thioisocyanate

S-methyl N-methyl dithiocarbamate

carbon disulfide

methylamine

Downstream raw materials:

pyridine-2-carbaldehyde 4-N-methyl thiosemicarbazone

acetic acid-[4-(4-methyl-thiosemicarbazonomethyl)-anilide]

benzaldehyde N⁴-methylthiosemicarbazone

4-methoxy-benzaldehyde-(4-methyl thiosemicarbazone)

Refernces

Synthesis and pharmacological evaluation of .alpha.-naphthylalkylamines

10.1021/jm00297a020

The study investigates the synthesis and pharmacological properties of various compounds, focusing on their potential antiarrhythmic and antitumor activities. The researchers synthesized a series of compounds using different methods (A, B, and C), involving chemicals like 1,5-dimorpholino-3-(a-naphthyl)pentane and 4-methyl-thiosemicarbazide. These compounds were tested for various biological activities, including central nervous system effects, local anesthetic properties, and cardiovascular actions. Notably, compound 24 showed promising antiarrhythmic activity and underwent further pharmacological and toxicological evaluations. Additionally, the study explored the antitumor potential of 1,4- and 1,5-bisthiosemicarbazones and related heterocycles, finding that certain derivatives of these compounds exhibited activity against Sarcoma 180 in mice and HeLa cells in vitro. The results highlight the potential therapeutic applications of these synthesized compounds in both cardiovascular and oncological contexts.