| CAS Number | 30187-23-6 |
| Catalog Number | AG01C0CO(AGN-PC-00139R) |
| Chemical Name | 4,5-Dimethylthiophene-3-carbaldehyde |
| IUPAC Name | 4,5-dimethylthiophene-3-carbaldehyde |
| InChI | InChI=1S/C7H8OS/c1-5-6(2)9-4-7(5)3-8/h3-4H,1-2H3 |
| InChI Key | QZBILYRKOIDVSF-UHFFFAOYSA-N |
| MDL Number | MFCD24675292 |
| Molecular Formula | C7H8OS |
| Molecular Weight | 140.2028 |
| SMILES | CC1=C(C)C(C=O)=CS1 |
| Synonyms | 4,5-Dimethylthiophene-3-carbaldehyde,
30187-23-6,
3-Thiophenecarboxaldehyde, 4,5-dimethyl-,
SCHEMBL2960935,
ZINC34275563,
4,5-Dimethyl-thiophene-3-carbaldehyde,
|
| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.2g/mol |
| Monoisotopic Mass | 140.03g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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