| CAS Number | 16810-19-8 |
| Catalog Number | AG001XT4(AGN-PC-0NI41X) |
| Chemical Name | 1-(2-Methyl-1-benzothiophen-3-yl)ethanone |
| IUPAC Name | 1-(2-methyl-1-benzothiophen-3-yl)ethanone |
| InChI | InChI=1S/C11H10OS/c1-7(12)11-8(2)13-10-6-4-3-5-9(10)11/h3-6H,1-2H3 |
| InChI Key | TVCALVRNHQYHHY-UHFFFAOYSA-N |
| MDL Number | MFCD08059890 |
| Molecular Formula | C11H10OS |
| Molecular Weight | 190.2615 |
| SMILES | CC(=O)c1c(C)sc2c1cccc2 |
| Synonyms | 16810-19-8,
1-(2-METHYL-1-BENZOTHIEN-3-YL)ETHANONE,
1-(2-Methylbenzo[b]thiophen-3-yl)ethanone,
Ethanone, 1-(2-methylbenzo[b]thien-3-yl)-,
1-(2-Methyl-1-benzothiophen-3-yl)ethan-1-one,
SCHEMBL9556945,
CTK4D2866,
DTXSID30480790,
ZX-CM003982,
2-Methyl-3-acetyl-benzo[b]thiophen,
FCH836035,
MFCD08059890,
ZINC19089780,
AKOS006281653,
AJ-71266,
Y-3457,
1-(2-Methyl-1-benzothien-3-yl)ethanone, AldrichCPR,
4012563-25G,
4012563-50G,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.26g/mol |
| Monoisotopic Mass | 190.045g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
\N
|
|
Hazard statements
|
H301
|
|
Packing Group
|
\N
|
|
Precautionary statements
|
P301+P310
|
|
UN Code
|
\N
|
Certificate of Analysis
Lot Number