4-Octyl-3-thiosemicarbazide

Base Information

• Chemical Name: 4-Octyl-3-thiosemicarbazide
• CAS No.: 13207-36-8
• Molecular Formula: C₉H₂₁N₃S
• Molecular Weight: 203.352
• Hs Code.: 2930909090
• European Community (EC) Number: 673-741-6
• DSSTox Substance ID: DTXSID50375073
• Nikkaji Number: J266.758D
• Wikidata: Q82163615
• Mol file: 13207-36-8.mol

Synonyms:4-Octyl-3-thiosemicarbazide;13207-36-8;1-amino-3-octylthiourea;N-Octylhydrazinecarbothioamide;Hydrazinecarbothioamide,N-octyl-;4-Octylthiosemicarbazide;3-amino-1-octylthiourea;SCHEMBL10984052;DTXSID50375073;MFCD00041382;AKOS015839943;CS-0337863;FT-0636837;A806356;J-006119;1-amino-3-octyl-thiourea;3-[4-(METHOXYCARBONYL)PHENYL]-3-[(2,2,2-TRIFLUOROACETYL)AMINO]PROPANOICACID

Chemical Property of 4-Octyl-3-thiosemicarbazide

Chemical Property:

• Vapor Pressure: 0.00141mmHg at 25°C
• Melting Point: 47 °C
• Refractive Index: 1.519
• Boiling Point: 296.7 °C at 760 mmHg
• Flash Point: 133.3 °C
• PSA: 82.17000
• Density: 0.999 g/cm³
• LogP: 3.16680
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 203.14561886
• Heavy Atom Count: 13
• Complexity: 128

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCNC(=S)NN

Technology Process of 4-Octyl-3-thiosemicarbazide

There total 2 articles about 4-Octyl-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: 80.0%

n-octylisothiocyanate (4430-45-9) → N4-octyl thiosemicarbazide (13207-36-8)

Guidance literature:

With hydrazine hydrate;

DOI:10.1016/j.ica.2017.10.007

Reference yield:

→ N4-octyl thiosemicarbazide (13207-36-8)

Guidance literature:

Reference yield: 84.0%

2-hydroxy-5-methoxybenzaldehyde (672-13-9) + N4-octyl thiosemicarbazide (13207-36-8) → C17H27N3O2S

Guidance literature:

In ethanol; for 1h; Reflux;

DOI:10.1016/j.poly.2020.114754

upstream raw materials:

n-octylisothiocyanate