| CAS Number | 847744-20-1 |
| Catalog Number | AG019OEX |
| Chemical Name | 3-(2-Bromoethyl)-4-methyl-2,3-dihydro-1,3-thiazol-2-one |
| IUPAC Name | 3-(2-bromoethyl)-4-methyl-1,3-thiazol-2-one |
| InChI | InChI=1S/C6H8BrNOS/c1-5-4-10-6(9)8(5)3-2-7/h4H,2-3H2,1H3 |
| InChI Key | ACLIABPJMWUSQB-UHFFFAOYSA-N |
| MDL Number | MFCD07323637 |
| Molecular Formula | C6H8BrNOS |
| Molecular Weight | 222.1028 |
| SMILES | CC1N(CCBr)C(=O)SC=1 |
| Synonyms | 3-(2-bromoethyl)-4-methyl-2,3-dihydro-1,3-thiazol-2-one,
3-(2-bromoethyl)-4-methyl-1,3-thiazol-2(3H)-one,
847744-20-1,
AC1NLQWX,
AC1Q2OMG,
CTK6C3737,
ZINC4206972,
AKOS000118335,
MCULE-9666512809,
NE28118,
EN300-13762,
3-(2-bromoethyl)-4-methyl-1,3-thiazol-2-one,
3-(2-Bromoethyl)-4-methyl-1,3-thiazol-2(3H)-one, AldrichCPR,
ZINC04206972,
CID4962633,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.1g/mol |
| Monoisotopic Mass | 220.951g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number