Methyl 2-acetamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

Base Information

• Chemical Name: Methyl 2-acetamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
• CAS No.: 92539-89-4
• Molecular Formula: C12H15NO3S
• Molecular Weight: 253.31700
• DSSTox Substance ID: DTXSID501149583
• Nikkaji Number: J2.131.556G
• ChEMBL ID: CHEMBL1459483
• Mol file: 92539-89-4.mol

Synonyms:92539-89-4;methyl 2-acetamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate;methyl 2-(acetylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;methyl 2-(acetylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate;2-Acetylamino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid methyl ester;MLS000031308;Oprea1_101743;Oprea1_739000;SCHEMBL5370842;CHEMBL1459483;DTXSID501149583;HMS2308O22;STK058254;AKOS000372889;SMR000009842;AG-690/11083032;SR-01000363046;SR-01000363046-1;Z21465639;F3146-2178;methyl2-acetamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate;methyl 2-acetamido-4,5,6,7-tetrahydro-1-benzo[b]thiophene-3-carboxylate;2-(Acetylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid methyl ester

Chemical Property of Methyl 2-acetamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

Chemical Property:

• PSA: 83.64000
• LogP: 2.44490
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 253.07726451
• Heavy Atom Count: 17
• Complexity: 321

Purity/Quality:

Methyl2-acetamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate 97% ^*data from reagent suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC