| CAS Number | 69994-68-9 |
| Catalog Number | AG01A6P5(AGN-PC-0WOC93) |
| Chemical Name | 1-(3-Methyl-1-benzothiophen-2-yl)ethan-1-ol |
| IUPAC Name | 1-(3-methyl-1-benzothiophen-2-yl)ethanol |
| InChI | InChI=1S/C11H12OS/c1-7-9-5-3-4-6-10(9)13-11(7)8(2)12/h3-6,8,12H,1-2H3 |
| InChI Key | HNPXTWCOGLBLHZ-UHFFFAOYSA-N |
| MDL Number | MFCD12047709 |
| Molecular Formula | C11H12OS |
| Molecular Weight | 192.2774 |
| SMILES | CC(C1=C(C)C2=C(C=CC=C2)S1)O |
| Synonyms | 1-(3-methyl-1-benzothiophen-2-yl)ethan-1-ol,
69994-68-9,
Benzo[b]thiophene-2-methanol, alpha,3-dimethyl-,
AKOS009939908,
NE54010,
(1R)-1-(3-methyl-1-benzothiophen-2-yl)ethan-1-ol,
(1S)-1-(3-methyl-1-benzothiophen-2-yl)ethan-1-ol,
1344953-38-3,
1344954-15-9,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.276g/mol |
| Monoisotopic Mass | 192.061g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 48.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number