2-(2-Imidazol-1-yl-ethyl)-4,5,6,7-tetrahydro-benzo[b]thiophene-6-carboxylic acid

Base Information

• Chemical Name: 2-(2-Imidazol-1-yl-ethyl)-4,5,6,7-tetrahydro-benzo[b]thiophene-6-carboxylic acid
• CAS No.: 114686-14-5
• Molecular Formula: C14H16N2O2S
• ChEMBL ID: CHEMBL282265
• DSSTox Substance ID: DTXSID201129899
• Mol file: 114686-14-5.mol

Synonyms:CHEMBL282265;SCHEMBL9837013;DTXSID201129899;BDBM50018177;2-(2-Imidazol-1-yl-ethyl)-4,5,6,7-tetrahydro-benzo[b]thiophene-6-carboxylic acid;114686-14-5;4,5,6,7-Tetrahydro-2-[2-(1H-imidazol-1-yl)ethyl]benzo[b]thiophene-6-carboxylic acid

Chemical Property of 2-(2-Imidazol-1-yl-ethyl)-4,5,6,7-tetrahydro-benzo[b]thiophene-6-carboxylic acid

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 276.09324893
• Heavy Atom Count: 19
• Complexity: 339

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC2=C(CC1C(=O)O)SC(=C2)CCN3C=CN=C3