| CAS Number | 857362-69-7 |
| Catalog Number | AG01AR0U |
| Chemical Name | 2-methyl-2-(thiophen-2-yl)propan-1-ol |
| IUPAC Name | 2-methyl-2-thiophen-2-ylpropan-1-ol |
| InChI | InChI=1S/C8H12OS/c1-8(2,6-9)7-4-3-5-10-7/h3-5,9H,6H2,1-2H3 |
| InChI Key | IRJPDCQBUPZLAX-UHFFFAOYSA-N |
| MDL Number | MFCD19347168 |
| Molecular Formula | C8H12OS |
| Molecular Weight | 156.2453 |
| SMILES | CC(C1SC=CC=1)(CO)C |
| Synonyms | 2-methyl-2-(2-thienyl)propan-1-ol,
857362-69-7,
SCHEMBL2652921,
IRJPDCQBUPZLAX-UHFFFAOYSA-N,
ZINC58517733,
2-Methyl-2-(2-thienyl)-1-propanol,
AKOS022358123,
2-methyl-2-thiophen-2-yl-propan-1-ol,
2-Thiopheneethanol, beta,beta-dimethyl-,
2-methyl-2-(thiophen-2-yl)propan-1-ol,
SY233035,
MFCD19347168 (95%),
F2189-0913,
2-methyl-2-thiophen-2-ylpropan-1-ol,
|
| Complexity | 112 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.243g/mol |
| Monoisotopic Mass | 156.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 48.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number