4-Butyl-3-thiosemicarbazide

Base Information

• Chemical Name: 4-Butyl-3-thiosemicarbazide
• CAS No.: 6610-31-7
• Molecular Formula: C5H13N3S
• Molecular Weight: 147.244
• Hs Code.: 2928009090
• European Community (EC) Number: 674-052-3
• DSSTox Substance ID: DTXSID80365240
• Nikkaji Number: J1.119.663B
• Mol file: 6610-31-7.mol

Synonyms:4-Butyl-3-thiosemicarbazide;6610-31-7;n-Butylhydrazinecarbothioamide;1-amino-3-butylthiourea;3-amino-1-butylthiourea;Hydrazinecarbothioamide,N-butyl-;4-BUTYLTHIOSEMICARBAZIDE;Butylsemithiocarbazide;4-butylthiosemi-carbazide;4-n-butylthiosemicarbazide;1-azanyl-3-butyl-thiourea;4-n-butyl-thiosemicarbazide;SCHEMBL454450;n-Butylhydrazinecarbothioamide #;DTXSID80365240;MFCD00041307;AKOS000116180;SB86450;NCGC00331477-01;CS-0297698;FT-0636191;EN300-03809;AB01326113-02;A835334;Z56855135

Chemical Property of 4-Butyl-3-thiosemicarbazide

Chemical Property:

• Vapor Pressure: 0.086mmHg at 25°C
• Melting Point: 74 °C
• Refractive Index: 1.541
• Boiling Point: 225.5 °C at 760 mmHg
• PKA: 10.76±0.70(Predicted)
• Flash Point: 90.2 °C
• Density: 1.071 g/cm³
• XLogP3: 0
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 147.08301860
• Heavy Atom Count: 9
• Complexity: 84.3

Purity/Quality:

98%min ^*data from raw suppliers

4-Butyl-3-thiosemicarbazide ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCNC(=S)NN

Technology Process of 4-Butyl-3-thiosemicarbazide

There total 8 articles about 4-Butyl-3-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: 94.0%

butyl isothiocyanate (592-82-5) → 4-butyl-3-thiosemicarbazide (6610-31-7)

Guidance literature:

With hydrazine; In methanol; at 0 ℃; for 1h;

DOI:10.1021/jm980232x

Reference yield: 65.0%

carbon disulfide (75-15-0,12122-00-8) + N-butylamine (109-73-9,85404-21-3) → 4-butyl-3-thiosemicarbazide (6610-31-7)

Guidance literature:

carbon disulfide; N-butylamine; With triethylamine;

With hydrazine hydrate; In water; for 24h; Reflux;

DOI:10.1080/10426500802203053

Reference yield:

n-Propyl isothiocyanate (628-30-8) → 4-butyl-3-thiosemicarbazide (6610-31-7)

Guidance literature:

With hydrazine hydrate;

DOI:10.1016/j.ica.2017.10.007

upstream raw materials:

butyl isothiocyanate

ethyl butyldithiocarbamate

butyl-thiocarbamic acid

carbon disulfide

Downstream raw materials:

(E)-4-butyl-1-(pyridin-2-ylmethylene)thiosemicarbazide

4-methoxy-benzaldehyde-(4-butyl thiosemicarbazone)

butyl-[5-(2-phenyl-quinolin-4-yl)-[1,3,4]thiadiazol-2-yl]-amine

4-nitro-benzaldehyde 4-butyl-thiosemicarbazone