2-mercapto-3-(2-phenylethyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one

Base Information

• Chemical Name: 2-mercapto-3-(2-phenylethyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
• CAS No.: 6133-11-5
• Molecular Formula: C17H16N2OS2
• Molecular Weight: 328.5
• DSSTox Substance ID: DTXSID10976843
• Wikidata: Q82961847
• Mol file: 6133-11-5.mol

Synonyms:351005-68-0;2-mercapto-3-(2-phenylethyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one;11-(2-Phenylethyl)-10-sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(8),2(6),9-trien-12-one;3-(2-phenylethyl)-2-sulfanyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one;11-(2-phenylethyl)-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-one;6133-11-5;CBMicro_017975;Oprea1_456020;Oprea1_785111;DTXSID10976843;BPA00568;CCG-14292;STK832567;STK995757;AKOS001063060;AKOS001637412;BIM-0017945.P001;CS-0221083;EN300-08311;Z55666223;1,2,3,5,6,7-Hexahydro-3-(2-phenylethyl)-2-thioxo-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one;3-(2-phenylethyl)-2-thioxo-1,2,3,5,6,7-hexahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one;3-PHENETHYL-2-THIOXO-1,2,3,5,6,7-HEXAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE

Chemical Property of 2-mercapto-3-(2-phenylethyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one

Chemical Property:

• Vapor Pressure: 1.02E-11mmHg at 25°C
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 328.07040549
• Heavy Atom Count: 22
• Complexity: 464

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC2=C(C1)SC3=C2C(=O)N(C(=S)N3)CCC4=CC=CC=C4