| CAS Number | 932-94-5 |
| Catalog Number | AG01C27N(AGN-PC-0ND1DH) |
| Chemical Name | 5-(Methylthio)-2-furancarboxaldehyde |
| IUPAC Name | 5-methylsulfanylfuran-2-carbaldehyde |
| InChI | InChI=1S/C6H6O2S/c1-9-6-3-2-5(4-7)8-6/h2-4H,1H3 |
| InChI Key | KDICZNRVQKKLFT-UHFFFAOYSA-N |
| MDL Number | MFCD18378742 |
| Molecular Formula | C6H6O2S |
| Molecular Weight | 142.1756 |
| SMILES | CSC1OC(C=O)=CC=1 |
| Synonyms | 2-Furancarboxaldehyde, 5-(methylthio)-,
932-94-5,
5-(methylsulfanyl)furan-2-carbaldehyde,
5-methylthio-2-furaldehyde,
SCHEMBL1169761,
CTK3G9676,
DTXSID70448692,
KDICZNRVQKKLFT-UHFFFAOYSA-N,
5-(Methylthio)furan-2-carbaldehyde,
ZINC34566723,
AKOS013114723,
5-(methylsulfonyl)furan-2-carbaldehyde,
5-methylsulfanylfuran-2-carbaldehyde,
CID10931539,
|
| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.172g/mol |
| Monoisotopic Mass | 142.009g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number