| CAS Number | 1338603-02-3 |
| Catalog Number | AG00HT26(AGN-PC-0WCMAH) |
| Chemical Name | 2-((3-Bromo-4-methylphenyl)thio)ethanol |
| IUPAC Name | 2-(3-bromo-4-methylphenyl)sulfanylethanol |
| InChI | InChI=1S/C9H11BrOS/c1-7-2-3-8(6-9(7)10)12-5-4-11/h2-3,6,11H,4-5H2,1H3 |
| InChI Key | XPPLZCUCYVJFHR-UHFFFAOYSA-N |
| MDL Number | MFCD27924162 |
| Molecular Formula | C9H11BrOS |
| Molecular Weight | 247.1520 |
| SMILES | BrC=1C=C(C=CC1C)SCCO |
| Synonyms | 1338603-02-3,
2-(3-broMo-4-Methylphenylthio)ethanol,
2-((3-Bromo-4-methylphenyl)thio)ethanol,
2-(3-Bromo-4-methyl-phenylsulfanyl)-ethanol,
MFCD27924162,
AKOS027251422,
ZINC238472138,
AS-41125,
2-(3-bromo-4-methylphenylthio)ethanol, 95% - 1G 1g,
|
| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.15g/mol |
| Monoisotopic Mass | 245.971g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 45.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number