N-Cyclopropylmethylthiourea

Base Information

• Chemical Name: N-Cyclopropylmethylthiourea
• CAS No.: 618913-44-3
• Molecular Formula: C5H10N2S
• Molecular Weight: 130.214
• Hs Code.: 2930909090
• European Community (EC) Number: 863-364-7
• DSSTox Substance ID: DTXSID60383629
• Wikidata: Q82175415
• Mol file: 618913-44-3.mol

Synonyms:N-Cyclopropylmethylthiourea;618913-44-3;1-(Cyclopropylmethyl)thiourea;cyclopropylmethylthiourea;(cyclopropylmethyl)thiourea;Thiourea, (cyclopropylmethyl)-;cyclopropylmethyl-thiourea;N-cyclopropylmethyl thiourea;N-cyclopropylmethyl-thiourea;1-cyclopropylmethyl-2-thiourea;SCHEMBL1960773;2-Chloro-4-piperazinobenzoicAcid;DTXSID60383629;BHJTYNJTDMRWOT-UHFFFAOYSA-N;MFCD00276905;AKOS009159313;AT24985;PS-9144;CS-0239616;FT-0693726;EN300-216080;A924003

Chemical Property of N-Cyclopropylmethylthiourea

Chemical Property:

• Melting Point: 110-113
• PSA: 70.14000
• LogP: 1.32080
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 130.05646950
• Heavy Atom Count: 8
• Complexity: 98.6

Purity/Quality:

99% ^*data from raw suppliers

1-(Cyclopropylmethyl)thiourea 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1CNC(=S)N

Technology Process of N-Cyclopropylmethylthiourea

There total 2 articles about N-Cyclopropylmethylthiourea 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: 81.0%

1-benzoyl-3-cyclopropylmethyl-thiourea (229636-55-9) → 1-cyclopropylmethyl-2-thiourea (618913-44-3)

Guidance literature:

With methanol; water; potassium carbonate; at 20 ℃;

Reference yield:

→ 1-cyclopropylmethyl-2-thiourea (618913-44-3)

Guidance literature:

Reference yield: 91.0%

1-cyclopropylmethyl-2-thiourea (618913-44-3) + para-bromophenacyl bromide (99-73-0,132309-76-3) → N-[4-(4-bromo-phenyl)-thiazol-2-yl]-cyclopropylmethylamine (928794-45-0)

Guidance literature:

With sodium hydrogencarbonate; In ethanol; at 20 ℃; Heating / reflux;

upstream raw materials:

1-benzoyl-3-cyclopropylmethyl-thiourea

Downstream raw materials:

N-[4-(4-bromo-phenyl)-thiazol-2-yl]-cyclopropylmethylamine

1-bromo-4-(2-(cyclopropylmethylamino)-5-methyl-thiazol-4-yl)-benzene

Refernces

• 1、 -. "THIAZOLE DERIVATIVES AND USE THEREOF". Page/Page column 167. . Retrieved 2008/06/13.