| CAS Number | 13290-45-4 |
| Catalog Number | AG019UDV |
| Chemical Name | 4-[(2-Bromoethyl)sulfanyl]-1,2-dimethylbenzene |
| IUPAC Name | 4-(2-bromoethylsulfanyl)-1,2-dimethylbenzene |
| InChI | InChI=1S/C10H13BrS/c1-8-3-4-10(7-9(8)2)12-6-5-11/h3-4,7H,5-6H2,1-2H3 |
| InChI Key | MRMFGTPAFONFTH-UHFFFAOYSA-N |
| MDL Number | MFCD09948502 |
| Molecular Formula | C10H13BrS |
| Molecular Weight | 245.1792 |
| SMILES | CC1=C(C)C=C(SCCBr)C=C1 |
| Synonyms | 4-[(2-bromoethyl)sulfanyl]-1,2-dimethylbenzene,
2-bromoethyl 3,4-dimethylphenyl sulfide,
13290-45-4,
AC1Q2DZN,
CTK5J0430,
ZINC19514521,
AKOS000193993,
NE41712,
EN300-41344,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.178g/mol |
| Monoisotopic Mass | 243.992g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number