Theophylline, 8-pentylthio-2-thio-

Base Information

Chemical Name:Theophylline, 8-pentylthio-2-thio-
CAS No.:4869-70-9
Molecular Formula:C12H18N4OS2
Molecular Weight:298.43
Hs Code.:
NSC Number:95892
UNII:16PCK5PX5O
DSSTox Substance ID:DTXSID40197584
Nikkaji Number:J48.735J
Wikidata:Q83070413
Mol file:4869-70-9.mol

Synonyms:Theophylline, 8-pentylthio-2-thio-;4869-70-9;2-Thio-8-(N-pentylthio)theophylline;Theophylline, (8-pentylthio)-2-thio-;2-Thio-8-n-pentylthiotheophylline;NSC 95892;Theophylline, 8-(pentylthio)-2-thio-;BRN 1139272;16PCK5PX5O;Uric acid, 1,3-dimethyl-8-pentylthio-2-thio-;NSC-95892;1,2,3,9-Tetrahydro-1,3-dimethyl-8-(pentylthio)-2-thioxo-6H-purin-6-one;NSC95892;UNII-16PCK5PX5O;8-Pentylthio-2-thiotheophylline;DTXSID40197584;LS-149647;Uric acid,3-dimethyl-(8-pentylthio)-2-thio-;6H-PURIN-6-ONE, 1,2,3,9-TETRAHYDRO-1,3-DIMETHYL-8-(PENTYLTHIO)-2-THIOXO-

Suppliers and Price of Theophylline, 8-pentylthio-2-thio-

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

Total 6 raw suppliers

Chemical Property of Theophylline, 8-pentylthio-2-thio-

Chemical Property:

Vapor Pressure:1.02E-09mmHg at 25°C
Boiling Point:489.1°C at 760 mmHg
Flash Point:249.6°C
PSA：113.00000
Density:1.35g/cm³
LogP:2.61190
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:298.09220356
Heavy Atom Count:19
Complexity:366

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCSC1=NC2=C(N1)C(=O)N(C(=S)N2C)C

Technology Process of Theophylline, 8-pentylthio-2-thio-

There total 1 articles about Theophylline, 8-pentylthio-2-thio- 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: