AC1MCTY1
ethyl 6,6-dimethyl-4-oxo-3-propan-2-ylsulfanyl-5,7-dihydro-2-benzothiophene-1-carboxylate
Also Known As: Maybridge1_004558|ethyl 3-(isopropylthio)-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylate|Oprea1_152564|HMS554H04|BUTTPARK 94\04-50|5737AD|AS-9154|ethyl 6,6-dimethyl-4-oxo-3-propan-2-ylsulfanyl-5,7-dihydro-2-benzothiophene-1-carboxylate|I06-2599|ETHYL3-(ISOPROPYLTHIO)-6,6-DIMETHYL-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBOXYLATE|Benzo[c]thiophene-1-carboxylic acid,4,5,6,7-tetrahydro-6,6-dimethyl-3-[(1-methylethyl)thio]-4-oxo-,ethyl ester|ethyl 3-(isopropylsulfanyl)-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate|Ethyl 3-(isopropylthio)-6,6-dimethyl-4-oxo-4,5,6,7- tetrahydrobenzo[C]thiophene-1-car|Ethyl 3-(isopropylthio)-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydrobenzocthiophene-1-carboxylate|ethyl 3-isopropylsulfanyl-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate|ethyl 6,6-dimethyl-4-oxo-3-(propan-2-ylsulfanyl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate|Ethyl 6,6-dimethyl-4-oxo-3-[(propan-2-yl)sulfanyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylate
| Molecular Formula | C16H22O3S2 |
|---|---|
| Molecular Weight | 326.10104 g/mol |
| LogP | 4.5804 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.10104 |
| Monoisotopic Mass | 326.10104 |
| Heavy Atoms | 21 |
| Complexity | 570.3224 |
Chemical Identifiers
| CAS Number | 175202-44-5 |
|---|---|
| SMILES | CCOC(=O)C1=C2CC(CC(=O)C2=C(S1)SC(C)C)(C)C |
Product Overview
AC1MCTY1 (CAS 175202-44-5), with molecular formula C16H22O3S2 and molecular weight 326.10104 g/mol. IUPAC: ethyl 6,6-dimethyl-4-oxo-3-propan-2-ylsulfanyl-5,7-dihydro-2-benzothiophene-1-carboxylate.