4-Sec-butyl-thiosemicarbazide

Base Information

• Chemical Name: 4-Sec-butyl-thiosemicarbazide
• CAS No.: 4312-11-2
• Molecular Formula: C5H13N3S
• Molecular Weight: 147.2418
• NSC Number: 243514
• DSSTox Substance ID: DTXSID30398260
• Nikkaji Number: J1.824.211G
• Mol file: 4312-11-2.mol

Synonyms:4-sec-butyl-thiosemicarbazide;4312-11-2;NSC243514;SCHEMBL10488617;DTXSID30398260;HCFLLXGBAPBKSA-UHFFFAOYSA-N;4-(2-butyl)-3-thiosemicarbazide;4-(1-Methylpropyl)thiosemicarbazide;AKOS005200042;N-(Butan-2-yl)hydrazinecarbothioamide;NSC-243514

Chemical Property of 4-Sec-butyl-thiosemicarbazide

Chemical Property:

• Vapor Pressure: 0.127mmHg at 25°C
• Boiling Point: 218.2°Cat760mmHg
• Flash Point: 85.8°C
• Density: 1.068g/cm³
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 147.08301860
• Heavy Atom Count: 9
• Complexity: 94.2

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)NC(=S)NN

Technology Process of 4-Sec-butyl-thiosemicarbazide

There total 4 articles about 4-Sec-butyl-thiosemicarbazide 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: 70.0%

sec-butyl isothiocyanate (116724-11-9,623-45-0,4426-79-3,116724-12-0) → 4-sec-butyl-thiosemicarbazide (4312-11-2)

Guidance literature:

With hydrazine; In methanol; at 65 - 80 ℃; for 1.33333h;

DOI:10.1002/jhet.5570420705

Reference yield:

sec-butylthiocarbamoylsulfanyl-acetic acid → 4-sec-butyl-thiosemicarbazide (4312-11-2)

Guidance literature:

With hydrazine hydrate; alkaline solution;

DOI:10.1016/S0960-894X(02)00703-5

Reference yield:

sec-butyl-thiocarbamic acid → 4-sec-butyl-thiosemicarbazide (4312-11-2)

Guidance literature:

With hydrazine hydrate; Heating;

DOI:10.1016/j.ejmech.2005.05.013

upstream raw materials:

sec-butyl isothiocyanate