Theophylline, 8-methylthio-6-thio-

Base Information

Chemical Name:Theophylline, 8-methylthio-6-thio-
CAS No.:4791-34-8
Molecular Formula:C8H10N4OS2
Molecular Weight:242.32
Hs Code.:
NSC Number:95857
UNII:29H5UXZ2VK
DSSTox Substance ID:DTXSID20197340
Nikkaji Number:J54.389F
Wikidata:Q83070230
ChEMBL ID:CHEMBL1897069
Mol file:4791-34-8.mol

Synonyms:Theophylline, 8-methylthio-6-thio-;4791-34-8;Theophylline, (8-methylthio)-6-thio-;MLS002695337;6-Thio-8-methylthiotheophylline;6-Thio-(8-methylthio)theophylline;NSC 95857;Theophylline, 8-(methylthio)-6-thio-;BRN 1125484;29H5UXZ2VK;Uric acid, 1,3-dimethyl-8-methylthio-6-thio-;NSC-95857;SMR001561243;1,3,6,9-Tetrahydro-1,3-dimethyl-8-(methylthio)-6-thioxo-2H-purin-2-one;1,3-dimethyl-8-methylsulfanyl-6-sulfanylidene-7H-purin-2-one;NSC95857;UNII-29H5UXZ2VK;NCIOpen2_006136;CHEMBL1897069;BDBM97025;cid_3034525;DTXSID20197340;HMS3079O17;8-(Methylthio)-6-thiotheophylline;C8-H10-N4-O-S2;LS-149630;Uric acid,3-dimethyl-(8-methylthio)-6-thio-;1,3-dimethyl-8-(methylthio)-6-thioxo-7H-purin-2-one;1,3-dimethyl-8-(methylthio)-6-sulfanylidene-7H-purin-2-one;2H-PURIN-2-ONE, 1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-8-(METHYLTHIO)-6-THIOXO-

Suppliers and Price of Theophylline, 8-methylthio-6-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-methylthio-6-thio-

Chemical Property:

Vapor Pressure:7.94E-09mmHg at 25°C
Boiling Point:465.1°C at 760 mmHg
Flash Point:235.1°C
PSA：113.00000
Density:1.56g/cm³
LogP:1.05150
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:242.02960330
Heavy Atom Count:15
Complexity:311

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SC

Technology Process of Theophylline, 8-methylthio-6-thio-

There total 1 articles about Theophylline, 8-methylthio-6-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: