3-benzyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-imine

Base Information

• Chemical Name: 3-benzyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-imine
• CAS No.: 6518-89-4
• Molecular Formula: C18H19N3S
• Molecular Weight: 309.4
• DSSTox Substance ID: DTXSID70983755
• Wikidata: Q82970716

Synonyms:3-benzyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-imine;6518-89-4;ChemDiv2_001027;Cambridge id 6518894;Oprea1_233628;DTXSID70983755;HMS1371O15;STK725461;AKOS001027767;EU-0076205;SR-01000474949;SR-01000474949-1;Z56822690

Chemical Property of 3-benzyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-imine

Chemical Property:

• Vapor Pressure: 3.19E-10mmHg at 25°C
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 309.12996879
• Heavy Atom Count: 22
• Complexity: 444

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC2=C(CC1)SC3=C2C(=N)N(C=N3)CC4=CC=CC=C4

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