3-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one

Base Information

• Chemical Name: 3-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one
• CAS No.: 6131-65-3
• Molecular Formula: C14H13 N O2 S
• Molecular Weight: 356.442
• DSSTox Substance ID: DTXSID80976799
• Wikidata: Q82961783
• ChEMBL ID: CHEMBL1458052
• Mol file: 6131-65-3.mol

Synonyms:537667-67-7;3-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one;3-METHYL-2-{[2-OXO-2-(PIPERIDIN-1-YL)ETHYL]SULFANYL}-3H,4H,5H-PYRIMIDO[5,4-B]INDOL-4-ONE;6131-65-3;MLS000103981;Oprea1_519839;CHEMBL1458052;DTXSID80976799;REGID_for_CID_2155537;HMS2255N20;AKOS002054749;3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5H-pyrimido[5,4-b]indol-4-one;SMR000016014;F0580-0002;3-methyl-2-[(2-oxo-2-piperidin-1-ylethyl)thio]-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one;3-Methyl-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one

Chemical Property of 3-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one

Chemical Property:

• Vapor Pressure: 1.74E-15mmHg at 25°C
• Boiling Point: 623.9°Cat760mmHg
• Flash Point: 331.1°C
• Density: 1.44g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 356.13069707
• Heavy Atom Count: 25
• Complexity: 575

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)N4CCCCC4