| CAS Number | 117341-28-3 |
| Catalog Number | AG008SMH(AGN-PC-0KKLKM) |
| Chemical Name | 2-Bromophenylthioethanol |
| IUPAC Name | 2-(2-bromophenyl)sulfanylethanol |
| InChI | InChI=1S/C8H9BrOS/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4,10H,5-6H2 |
| InChI Key | IQSSYWVFPQBQLS-UHFFFAOYSA-N |
| MDL Number | MFCD03789139 |
| Molecular Formula | C8H9BrOS |
| Molecular Weight | 233.1255 |
| SMILES | C1(Br)=C(C=CC=C1)SCCO |
| Synonyms | 117341-28-3,
ST51041982,
AC1MBV8S,
2-(2-bromophenylthio)ethanol,
2-(2-bromophenyl)sulfanylethanol,
DTXSID10373752,
2-(2-bromophenylthio)ethan-1-ol,
ZINC2511061,
AKOS009076590,
MCULE-4998673320,
2-[(2-bromophenyl)sulfanyl]ethan-1-ol,
2-Bromophenylthioethanol,
ZINC02511061,
CID2757168,
|
| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.123g/mol |
| Monoisotopic Mass | 231.956g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 45.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number