Theophylline, 8-hexylthio-2-thio-

Base Information

Chemical Name:Theophylline, 8-hexylthio-2-thio-
CAS No.:4869-71-0
Molecular Formula:C13H20N4OS2
Molecular Weight:312.4541
Hs Code.:
NSC Number:95901
UNII:DU2CV9J9CT
DSSTox Substance ID:DTXSID00197585
Nikkaji Number:J17.376B
Wikidata:Q83070415
Mol file:4869-71-0.mol

Synonyms:Theophylline, 8-hexylthio-2-thio-;4869-71-0;2-Thio-8-(N-hexylthio)theophylline;Theophylline, (8-hexylthio)-2-thio-;DU2CV9J9CT;8-(Hexylthio)-2-thio-theophylline;NSC-95901;2-Thio-8-n-hexylthiotheophylline;NSC 95901;BRN 1140739;Uric acid, 1,3-dimethyl-8-hexylthio-2-thio-;NSC95901;Theophylline, 8-(hexylthio)-2-thio-;UNII-DU2CV9J9CT;DTXSID00197585;Uric acid,3-dimethyl-(8-hexylthio)-2-thio-;6H-PURIN-6-ONE, 8-(HEXYLTHIO)-1,2,3,9-TETRAHYDRO-1,3-DIMETHYL-2-THIOXO-;8-(HEXYLTHIO)-1,2,3,9-TETRAHYDRO-1,3-DIMETHYL-2-THIOXO-6H-PURIN-6-ONE

Suppliers and Price of Theophylline, 8-hexylthio-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
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price

Total 7 raw suppliers

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

Chemical Property:

Vapor Pressure:4.77E-10mmHg at 25°C
Boiling Point:497.9°Cat760mmHg
Flash Point:254.9°C
PSA：113.00000
Density:1.32g/cm³
LogP:3.00200
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:312.10785362
Heavy Atom Count:20
Complexity:379

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCSC1=NC2=C(N1)C(=O)N(C(=S)N2C)C

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

There total 1 articles about Theophylline, 8-hexylthio-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: