| CAS Number | 90150-99-5 |
| Catalog Number | AG01AKVG(AGN-PC-005T5W) |
| Chemical Name | 5-Bromo-2-methoxybenzene-1-thiol |
| IUPAC Name | 5-bromo-2-methoxybenzenethiol |
| InChI | InChI=1S/C7H7BrOS/c1-9-6-3-2-5(8)4-7(6)10/h2-4,10H,1H3 |
| InChI Key | NVWMBFHESONALO-UHFFFAOYSA-N |
| MDL Number | MFCD00068899 |
| Molecular Formula | C7H7BrOS |
| Molecular Weight | 219.0989 |
| SMILES | COC1=C(S)C=C(Br)C=C1 |
| Synonyms | 5-bromo-2-methoxybenzene-1-thiol,
5-Bromo-2-methoxythiophenol,
90150-99-5,
SCHEMBL47014,
2-methoxy-5-bromo-thiophenol,
2-Methoxy-5-bromobenzenethiol,
NVWMBFHESONALO-UHFFFAOYSA-N,
ZINC20587036,
NE30531,
EN300-85417,
5-bromo-2-methoxy-benzenethiol,
CID11276017,
|
| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.096g/mol |
| Monoisotopic Mass | 217.94g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 10.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number