2-(Benzylamino)cyclohepta-2,4,6-triene-1-thione

Base Information

Chemical Name:2-(Benzylamino)cyclohepta-2,4,6-triene-1-thione
CAS No.:3336-61-6
Molecular Formula:C14H13NS
Molecular Weight:227.32500
Hs Code.:
DSSTox Substance ID:DTXSID30354260

Synonyms:2-(benzylamino)cyclohepta-2,4,6-triene-1-thione;3336-61-6;Oprea1_164155;Oprea1_336950;DTXSID30354260;STL325262;AKOS022140108

Suppliers and Price of 2-(Benzylamino)cyclohepta-2,4,6-triene-1-thione

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
2-(BENZYLAMINO)CYCLOHEPTA-2,4,6-TRIENE-1-THIONE 95.00%
5MG
$ 500.83

Total 0 raw suppliers

Chemical Property of 2-(Benzylamino)cyclohepta-2,4,6-triene-1-thione

Chemical Property:

Melting Point:138 °C
Boiling Point:394.3±52.0 °C(Predicted)
PSA：44.12000
Density:1.16±0.1 g/cm3(Predicted)
LogP:4.10120
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:227.07687059
Heavy Atom Count:16
Complexity:333

Purity/Quality:: 2-(BENZYLAMINO)CYCLOHEPTA-2,4,6-TRIENE-1-THIONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)CNC2=CC=CC=CC2=S

Technology Process of 2-(Benzylamino)cyclohepta-2,4,6-triene-1-thione

There total 3 articles about 2-(Benzylamino)cyclohepta-2,4,6-triene-1-thione 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: 89.0%

: 1-benzylamino-2-methoxytropylium methyl sulfate

: 3336-61-6
2-benzylaminocyclohepta-2,4,6-triene-1-thione

Guidance literature:: With sodium sulfide; In ethanol; water;
DOI:10.1023/A:1019619307779

Reference yield:

: 1487-87-2
N-Benzyl-2-methoxy-troponimin

: 3336-61-6
2-benzylaminocyclohepta-2,4,6-triene-1-thione

Guidance literature:: With hydrogen sulfide; In ethanol; Ambient temperature;
DOI:10.1248/cpb.13.828

Reference yield:

: 2745-05-3
2-benzylaminocyclohepta-2,4,6-trien-1-one

: 3336-61-6
2-benzylaminocyclohepta-2,4,6-triene-1-thione

Guidance literature:: Multi-step reaction with 2 steps

1: 0.17 h / 110 °C

2: 89 percent / Na₂S / ethanol; H₂O

With sodium sulfide; In ethanol; water;
DOI:10.1023/A:1019619307779