| CAS Number | 38125-81-4 |
| Catalog Number | AG01DWE5(AGN-PC-01WDY7) |
| Chemical Name | 3-chloro-4-(methylsulfanyl)benzaldehyde |
| IUPAC Name | 3-chloro-4-methylsulfanylbenzaldehyde |
| InChI | InChI=1S/C8H7ClOS/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3 |
| InChI Key | LMPPOJFNFLYALG-UHFFFAOYSA-N |
| MDL Number | MFCD24056861 |
| Molecular Formula | C8H7ClOS |
| Molecular Weight | 186.6586 |
| SMILES | CSC1=C(Cl)C=C(C=O)C=C1 |
| Synonyms | 3-Chloro-4-(methylthio)benzaldehyde,
3-Chloro-4-methylsulfanyl-benzaldehyde,
38125-81-4,
SCHEMBL1575377,
LMPPOJFNFLYALG-UHFFFAOYSA-N,
3-chloro-4-(methylthio)benzaidehyde,
3-chloro-4-methylsulfanylbenzaldehyde,
MFCD24056861,
AKOS019730240,
3-chloro-4-(methylsulfanyl)benzaldehyde,
|
| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.653g/mol |
| Monoisotopic Mass | 185.991g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number