N-allyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

Base Information

• Chemical Name: N-allyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
• CAS No.: 65913-05-5
• Molecular Formula: C10H14N2S
• Molecular Weight: 194.2966
• Hs Code.: 2934200090
• European Community (EC) Number: 658-352-1
• DSSTox Substance ID: DTXSID50404534
• Wikidata: Q82208792
• Mol file: 65913-05-5.mol

Synonyms:65913-05-5;N-allyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;N-Allyl-4,5,6,7-tetrahydrobenzo[d]thiazol-2-amine;N-(prop-2-en-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;N-prop-2-enyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;SCHEMBL24741297;DTXSID50404534;AMY42543;AKOS000117752;BS-42588;CS-0221739;EN300-09918;F53465;Z48852719

Chemical Property of N-allyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

Chemical Property:

• Vapor Pressure: 0.000425mmHg at 25°C
• Melting Point: 77-79 °C
• Boiling Point: 315.9°Cat760mmHg
• PKA: 5.47±0.20(Predicted)
• Flash Point: 144.8°C
• PSA: 56.39000
• Density: 1.166g/cm³
• LogP: 2.04170
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 194.08776963
• Heavy Atom Count: 13
• Complexity: 184

Purity/Quality:

98%Min ^*data from raw suppliers

N-(prop-2-en-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCNC1=NC2=C(S1)CCCC2

Technology Process of N-allyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

There total 3 articles about N-allyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine 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:

Allylthiourea (109-57-9) + 2-Chlorocyclohexanone (822-87-7) → allyl-(4,5,6,7-tetrahydro-benzothiazol-2-yl)-amine (65913-05-5)

Guidance literature:

With acetic acid;

DOI:10.1002/hlca.19460290141

Reference yield:

Allylthiourea (109-57-9) + 1-chloro-2-nitrosocyclohexane (1809-72-9,1809-77-4,16580-31-7) → allyl-(4,5,6,7-tetrahydro-benzothiazol-2-yl)-amine (65913-05-5)

Guidance literature:

In ethanol; for 0.333333h; Heating;

Reference yield:

→ allyl-(4,5,6,7-tetrahydro-benzothiazol-2-yl)-amine (65913-05-5)

Guidance literature:

Allylthioharnstoff, Chlorcyclohexanonoxim;

upstream raw materials:

Allylthiourea

2-Chlorocyclohexanone

1-chloro-2-nitrosocyclohexane