Crotonyl isothiocyanate

Base Information

• Chemical Name: Crotonyl isothiocyanate
• CAS No.: 60034-28-8
• Molecular Formula: C5H5NOS
• Molecular Weight: 127.16
• Hs Code.: 2930909090
• European Community (EC) Number: 673-989-5
• Mol file: 60034-28-8.mol

Synonyms:Crotonyl isothiocyanate;60034-28-8;(E)-but-2-enoyl isothiocyanate;32786-19-9;Crotonylisothiocyanate;(2E)-2-Butenoyl isothiocyanate;2-Butenoylisothiocyanate;GGYYXENTGJDZTN-NSCUHMNNSA-N;(2E)-2-Butenoyl isothiocyanate #;MFCD08461770;[4-(2-Boc-aminoethyl)phenyl]methanol;AKOS006343975;A832582

Chemical Property of Crotonyl isothiocyanate

Chemical Property:

• Vapor Pressure: 1.01mmHg at 25°C
• Refractive Index: 1.51
• Boiling Point: 178 °C at 760 mmHg
• Flash Point: 61.4 °C
• PSA: 61.52000
• Density: 1.03 g/cm³
• LogP: 1.19190
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 127.00918496
• Heavy Atom Count: 8
• Complexity: 156

Purity/Quality:

98%Min ^*data from raw suppliers

Crotonylisothiocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CC(=O)N=C=S
• Isomeric SMILES: C/C=C/C(=O)N=C=S

Technology Process of Crotonyl isothiocyanate

There total 1 articles about Crotonyl isothiocyanate 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:

trans-chrotonyl chloride (625-35-4,3488-22-0,10487-71-5) + potassium thioacyanate (333-20-0) → 2-Butenoyl isothiocyanate (60034-28-8)

Guidance literature:

With acetone;

Reference yield: 94.0%

2-Butenoyl isothiocyanate (60034-28-8) + 3-trifluoromethylaniline (98-16-8) → N-(2-butenoyl)-N'-(3-trifluoromethylphenyl)thiourea (115983-14-7)

Guidance literature:

In acetone; at 50 ℃; for 2h;

Reference yield: 91.0%

2-Butenoyl isothiocyanate (60034-28-8) + 2-(trifluoromethyl)benzenamine (88-17-5) → N-(2-butenoyl)-N'-(2-trifluoromethylphenyl)thiourea (115983-13-6)

Guidance literature:

In acetone; at 50 ℃; for 2h;

upstream raw materials:

trans-chrotonyl chloride

potassium thioacyanate

Downstream raw materials:

N-(2-butenoyl)-N'-(3-trifluoromethylphenyl)thiourea

N-(2-butenoyl)-N'-(cyclohexyl)thiourea

N-(2-butenoyl)-N'-(4-methylphenyl)thiourea

N'-(2-Butenoyl)-N-phenylthiourea