| CAS Number | 141819-40-1 |
| Catalog Number | AG01FCPV(AGN-PC-0NATAJ) |
| Chemical Name | Ethyl 2-(3-bromophenyl)sulfanylacetate |
| IUPAC Name | ethyl 2-(3-bromophenyl)sulfanylacetate |
| InChI | InChI=1S/C10H11BrO2S/c1-2-13-10(12)7-14-9-5-3-4-8(11)6-9/h3-6H,2,7H2,1H3 |
| InChI Key | LOWYUFNFICQING-UHFFFAOYSA-N |
| MDL Number | MFCD17225261 |
| Molecular Formula | C10H11BrO2S |
| Molecular Weight | 275.1621 |
| SMILES | CCOC(=O)CSc1cccc(c1)Br |
| Synonyms | Ethyl 2-(3-bromophenyl)sulfanylacetate,
141819-40-1,
ethyl 2-((3-bromophenyl)thio)acetate,
SCHEMBL16056967,
LOWYUFNFICQING-UHFFFAOYSA-N,
ZINC34488196,
AKOS012100259,
(3-Bromophenylthio)acetic acid ethyl ester,
A1-05692,
CID10802332,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.966g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.16g/mol |
| Monoisotopic Mass | 273.966g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 51.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number