1-Cyclopropyl-3-phenylthiourea

Base Information

• Chemical Name: 1-Cyclopropyl-3-phenylthiourea
• CAS No.: 77991-97-0
• Molecular Formula: C10H12N2S
• Molecular Weight: 192.285
• DSSTox Substance ID: DTXSID60405491
• Nikkaji Number: J2.295.088F
• NSC Number: 127025
• Mol file: 77991-97-0.mol

Synonyms:77991-97-0;1-cyclopropyl-3-phenylthiourea;NSC127025;N-cyclopropyl-N'-phenylthiourea;SCHEMBL11284872;DTXSID60405491;AKOS000431048;NSC-127025

Chemical Property of 1-Cyclopropyl-3-phenylthiourea

Chemical Property:

• Vapor Pressure: 0.00165mmHg at 25°C
• Boiling Point: 294.1°C at 760 mmHg
• Flash Point: 131.7°C
• Density: 1.21g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 192.07211956
• Heavy Atom Count: 13
• Complexity: 183

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1NC(=S)NC2=CC=CC=C2

Technology Process of 1-Cyclopropyl-3-phenylthiourea

There total 1 articles about 1-Cyclopropyl-3-phenylthiourea 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: 95.0%

phenyl isothiocyanate (103-72-0) + Cyclopropylamine (765-30-0) → 3-cyclopropyl-1-phenylthiourea (77991-97-0)

Guidance literature:

In toluene; at 20 ℃; for 1h;

DOI:10.1016/j.molliq.2017.06.041

Reference yield: 78.0%

3-cyclopropyl-1-phenylthiourea (77991-97-0) + chloroacetic acid (79-11-8) → (2Z)-3-cyclopropyl-2-(phenylimino)-1,3-thiazolidin-4-one

Guidance literature:

With sodium acetate; In ethanol; for 12h; Reflux;

DOI:10.1016/j.molliq.2017.06.041

Reference yield: 73.0%

3-cyclopropyl-1-phenylthiourea (77991-97-0) + para-bromobenzenethiol (106-53-6) + 2-Bromo-4'-methoxyacetophenone (2632-13-5) → (Z)-5-((4-bromophenyl)thio)-3-cyclopropyl-4-(4-methoxyphenyl)-N-phenylthiazol-2(3H)-imine

Guidance literature:

With iodine; dimethyl sulfoxide; In 1,2-dichloro-ethane; at 80 ℃; regioselective reaction;

DOI:10.1021/acs.joc.9b00785

upstream raw materials:

phenyl isothiocyanate

Cyclopropylamine

Refernces

• 1、 Mandal, Subhro,Pramanik, Animesh. "Facile synthesis of phthalidyl fused spiro thiohydantoins through silica sulfuric acid induced oxidative rearrangement of ninhydrin adducts of thioureas". . . Retrieved 2019/12/24.