| CAS Number | 1243397-23-0 |
| Catalog Number | AG01B81N |
| Chemical Name | 2-bromo-5-(methylsulfanyl)phenol |
| IUPAC Name | 2-bromo-5-methylsulfanylphenol |
| InChI | InChI=1S/C7H7BrOS/c1-10-5-2-3-6(8)7(9)4-5/h2-4,9H,1H3 |
| InChI Key | JYOFHTQTECJPRV-UHFFFAOYSA-N |
| MDL Number | MFCD16999029 |
| Molecular Formula | C7H7BrOS |
| Molecular Weight | 219.0989 |
| SMILES | CSC1=CC(O)=C(Br)C=C1 |
| Synonyms | 2-bromo-5-(methylsulfanyl)phenol,
1243397-23-0,
2-bromo-5-methylsulfanylphenol,
2-bromo-5-methylsulfanyl-phenol,
SCHEMBL15036872,
ZINC95936291,
2-BROMO-5-(METHYLTHIO)PHENOL,
AKOS033723954,
Z1998853076,
|
| 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 | 45.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number