| CAS Number | 1481986-80-4 |
| Catalog Number | AG01C49W |
| Chemical Name | 1-(5-methylthiophen-3-yl)propan-1-ol |
| IUPAC Name | 1-(5-methylthiophen-3-yl)propan-1-ol |
| InChI | InChI=1S/C8H12OS/c1-3-8(9)7-4-6(2)10-5-7/h4-5,8-9H,3H2,1-2H3 |
| InChI Key | ZMNNXASBAJHXCH-UHFFFAOYSA-N |
| MDL Number | MFCD21125875 |
| Molecular Formula | C8H12OS |
| Molecular Weight | 156.2453 |
| SMILES | CCC(C1C=C(C)SC=1)O |
| Synonyms | 1-(5-methylthiophen-3-yl)propan-1-ol,
1481986-80-4,
SCHEMBL80084,
ZMNNXASBAJHXCH-UHFFFAOYSA-N,
AKOS014433014,
1-(2-methylthiophen-4-yl)-1-propanol,
|
| Complexity | 105 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number