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Theophylline, 8-(2-pyrrolidinoethyl)thio-6-thio-

Base Information
  • Chemical Name:Theophylline, 8-(2-pyrrolidinoethyl)thio-6-thio-
  • CAS No.:6559-86-0
  • Molecular Formula:C13H19N5OS2
  • Molecular Weight:325.45
  • Hs Code.:
  • NSC Number:99657
  • UNII:Z451PDS8P0
  • DSSTox Substance ID:DTXSID80215852
  • Nikkaji Number:J48.736H
  • Wikidata:Q27188509
  • ChEMBL ID:CHEMBL1494615
  • Mol file:6559-86-0.mol
Theophylline, 8-(2-pyrrolidinoethyl)thio-6-thio-

Synonyms:6559-86-0;Theophylline, 8-(2-pyrrolidinoethyl)thio-6-thio-;NSC99657;MLS000737206;NSC 99657;NSC-99657;BRN 1155144;Z451PDS8P0;6-Thio-8-(beta-N-pyrrolidinoethyl)thiotheophylline;1,3-dimethyl-8-(2-pyrrolidin-1-ylethylsulfanyl)-6-sulfanylidene-7H-purin-2-one;Theophylline, 8-((2-pyrrolidinoethyl)thio)-6-thio-;Theophylline, 8-[(2-pyrrolidinoethyl)thio]-6-thio-;JA2-4 (NSC99657);Theophylline, 8-((2-(1-pyrrolidinyl)ethyl)thio)-6-thio-;SMR000528466;Uric acid, 1,3-dimethyl-8-(2-pyrrolidinoethyl)thio-6-thio-;Theophylline, 8-[[2-(1-pyrrolidinyl)ethyl]thio]-6-thio-;1,3-dimethyl-8-[2-(1-pyrrolidinyl)ethylthio]-6-sulfanylidene-7H-purin-2-one;1,3,6,9-Tetrahydro-1,3-dimethyl-8-((2-(1-pyrrolidinyl)ethyl)thio)-6-thioxo-2H-purin-2-one;1,3-dimethyl-8-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,9-tetrahydro-2H-purin-2-one;NCIStruc1_001373;NCIStruc2_001120;UNII-Z451PDS8P0;CHEMBL1494615;BDBM55874;C13H19N5OS2;cid_3034554;DTXSID80215852;CHEBI:109390;NCI99657;C13-H19-N5-O-S2;CCG-36654;NCGC00014035;NCGC00014035-02;NCGC00097144-01;NCI60_042234;LS-149673;8-(2-Pyrrolidinoethyl)thio-6-thiotheophylline;Q27188509;6-Thio-[8-(.beta.-N-pyrrolidinoethyl)thio]theophylline;Uric acid,3-dimethyl-8-[(2-pyrrolidinoethyl)thio]-6-thio-;1,3-dimethyl-8-(2-pyrrolidinoethylthio)-6-thioxo-7H-purin-2-one;1,3-dimethyl-8-((2-(1-pyrrolidinyl)ethyl)thio)-6-thioxo-1,3,6,9-tetrahydro-2H-purin-2-one;2H-PURIN-2-ONE, 1,3,6,7-TETRAHYDRO-1,3-DIMETHYL-8-((2-(1-PYRROLIDINYL)ETHYL)THIO)-6-THIOXO-;2H-PURIN-2-ONE, 1,3,6,9-TETRAHYDRO-1,3-DIMETHYL-8-((2-(1-PYRROLIDINYL)ETHYL)THIO)-6-THIOXO-;M0S

Suppliers and Price of Theophylline, 8-(2-pyrrolidinoethyl)thio-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-(2-pyrrolidinoethyl)thio-6-thio-
Chemical Property:
  • Vapor Pressure:1.33E-11mmHg at 25°C 
  • Boiling Point:537°C at 760 mmHg 
  • Flash Point:278.5°C 
  • PSA:116.24000 
  • Density:1.45g/cm3 
  • LogP:1.45540 
  • XLogP3:1.6
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Rotatable Bond Count:4
  • Exact Mass:325.10310259
  • Heavy Atom Count:21
  • Complexity:429
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)SCCN3CCCC3
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