| CAS Number | 68885-46-1 |
| Catalog Number | AG006FYS(AGN-PC-00161M) |
| Chemical Name | 3-Methoxy-4-(methylthio)benzaldehyde |
| IUPAC Name | 3-methoxy-4-methylsulfanylbenzaldehyde |
| InChI | InChI=1S/C9H10O2S/c1-11-8-5-7(6-10)3-4-9(8)12-2/h3-6H,1-2H3 |
| InChI Key | ATXWTZIXTSLPMJ-UHFFFAOYSA-N |
| MDL Number | MFCD04973392 |
| Molecular Formula | C9H10O2S |
| Molecular Weight | 182.2395 |
| SMILES | COC1=C(SC)C=CC(C=O)=C1 |
| Synonyms | 3-methoxy-4-(methylthio)benzaldehyde,
68885-46-1,
3-METHOXY-4-METHYLSULFANYL-BENZALDEHYDE,
3-methoxy-4-(methylsulfanyl)benzaldehyde,
Benzaldehyde, 3-methoxy-4-(methylthio)-,
AC1Q47AP,
SCHEMBL9529019,
CTK1J1664,
DTXSID90559370,
ZINC2540628,
2317AJ,
AKOS006230347,
AB21299,
MCULE-6444998498,
AJ-39109,
FT-0692204,
EN300-59453,
Z-5346,
A836279,
C9H10O2S,
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| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.237g/mol |
| Monoisotopic Mass | 182.04g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number