| CAS Number | 597545-05-6 |
| Catalog Number | AG00J3U2(AGN-PC-0WB4NR) |
| Chemical Name | 4-Bromo-5-[(4-methylphenyl)thio]-2-furaldehyde |
| IUPAC Name | 4-bromo-5-(4-methylphenyl)sulfanylfuran-2-carbaldehyde |
| InChI | InChI=1S/C12H9BrO2S/c1-8-2-4-10(5-3-8)16-12-11(13)6-9(7-14)15-12/h2-7H,1H3 |
| InChI Key | DISPPBMPQGHDDM-UHFFFAOYSA-N |
| MDL Number | MFCD03762927 |
| Molecular Formula | C12H9BrO2S |
| Molecular Weight | 297.1677 |
| SMILES | C1(SC2C=CC(=CC=2)C)OC(=CC=1Br)C=O |
| Synonyms | 597545-05-6,
4-BROMO-5-[(4-METHYLPHENYL)THIO]-2-FURALDEHYDE,
4-Bromo-5-(p-tolylthio)furan-2-carbaldehyde,
4-Bromo-5-[(4-methylphenyl)sulfanyl]furan-2-carbaldehyde,
AC1LIH69,
SCHEMBL2559851,
4-bromo-5-(4-methylphenyl)sulfanylfuran-2-carbaldehyde,
CTK5B0447,
DTXSID10359258,
CHEMBRDG-BB 6755508,
ZINC559373,
ZX-CM016986,
MFCD03762927,
AKOS000335195,
MCULE-6938692574,
AJ-23477,
Y-0819,
CID954247,
ZINC00559373,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.166g/mol |
| Monoisotopic Mass | 295.951g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number