| CAS Number | 53119-66-7 |
| Catalog Number | AG01EA92 |
| Chemical Name | 2,4-Dibromo-3-methylthiophene |
| IUPAC Name | 2,4-dibromo-3-methylthiophene |
| InChI | InChI=1S/C5H4Br2S/c1-3-4(6)2-8-5(3)7/h2H,1H3 |
| InChI Key | XLFOWVGHYFPKMU-UHFFFAOYSA-N |
| MDL Number | MFCD18451662 |
| Molecular Formula | C5H4Br2S |
| Molecular Weight | 255.9583 |
| SMILES | CC1=C(Br)SC=C1Br |
| Synonyms | 2,4-dibromo-3-methylthiophene,
SCHEMBL846067,
XLFOWVGHYFPKMU-UHFFFAOYSA-N,
Thiophene, 2,4-dibromo-3-methyl-,
53119-66-7,
FT-0715323,
|
| Complexity | 86.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.838g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.955g/mol |
| Monoisotopic Mass | 253.84g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 28.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number