n-Propylhydrazinecarbothioamide

Base Information

• Chemical Name: n-Propylhydrazinecarbothioamide
• CAS No.: 13431-35-1
• Molecular Formula: C4H11 N3 S
• Molecular Weight: 133.217
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID20158638
• Nikkaji Number: J1.824.210I
• Mol file: 13431-35-1.mol

Synonyms:n-Propylhydrazinecarbothioamide;13431-35-1;1-amino-3-propylthiourea;3-amino-1-propylthiourea;Hydrazinecarbothioamide,N-propyl-;Hydrazinecarbothioamide, N-propyl-;4-propylthiosemicarbazide;4-Propyl-3-thiosemicarbazide;4-n-propyl-thiosemicarbazide;SCHEMBL1488883;n-Propylhydrazinecarbothioamide #;DTXSID20158638;AKOS001061030;CS-0221666;EN300-09728;Z56985754

Chemical Property of n-Propylhydrazinecarbothioamide

Chemical Property:

• Vapor Pressure: 0.235mmHg at 25°C
• Boiling Point: 206.6°Cat760mmHg
• Flash Point: 78.8°C
• PSA: 89.21000
• Density: 1.102g/cm³
• LogP: 1.23670
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 133.06736854
• Heavy Atom Count: 8
• Complexity: 73.7

Purity/Quality:

97% ^*data from raw suppliers

3-Amino-1-propylthiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCNC(=S)NN

Technology Process of n-Propylhydrazinecarbothioamide

There total 7 articles about n-Propylhydrazinecarbothioamide 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: 88.0%

→ 4-propyl-thiosemicarbazide (13431-35-1)

Guidance literature:

Reference yield: 58.0%

propylamine (107-10-8,42939-71-9) + carbon disulfide (75-15-0,12122-00-8) → 4-propyl-thiosemicarbazide (13431-35-1)

Guidance literature:

propylamine; carbon disulfide; With triethylamine;

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

DOI:10.1080/10426500802203053

Reference yield: 34.0%

propylamine (107-10-8,42939-71-9) + hydrazinecarbodithioic acid methyl ester (5397-03-5) → 4-propyl-thiosemicarbazide (13431-35-1)

Guidance literature:

In water; for 4.5h; Heating;

DOI:10.1002/jhet.5570420705

upstream raw materials:

n-Propyl isothiocyanate

propylamine

hydrazinecarbodithioic acid methyl ester

N-(propyl)-S-methyldithiocarbamic acid

Downstream raw materials:

1-(2,5-dithia-7-aza-bicyclo[2.2.1]hept-7-yl)-3-propyl-thiourea

1-((2S)-2r-benzyloxy-3ξ,5ξ-dihydroxy-morpholin-4-yl)-3-propyl-thiourea

propyl-[1,3,4]thiadiazol-2-yl-amine

C₁₆H₂₉N₇S₂