| CAS Number | 127905-37-7 |
| Catalog Number | AG00HRQB(AGN-PC-002DVL) |
| Chemical Name | 2-(3-methoxyphenylthio)benzaldehyde |
| IUPAC Name | 2-(3-methoxyphenyl)sulfanylbenzaldehyde |
| InChI | InChI=1S/C14H12O2S/c1-16-12-6-4-7-13(9-12)17-14-8-3-2-5-11(14)10-15/h2-10H,1H3 |
| InChI Key | SOOXPJFTYXYFPE-UHFFFAOYSA-N |
| MDL Number | MFCD04108076 |
| Molecular Formula | C14H12O2S |
| Molecular Weight | 244.3089 |
| SMILES | COC1=CC(SC2=C(C=O)C=CC=C2)=CC=C1 |
| Synonyms | 2-(3-methoxyphenylthio)benzaldehyde,
127905-37-7,
SCHEMBL6540092,
SOOXPJFTYXYFPE-UHFFFAOYSA-N,
ZINC6848084,
2-[(3-methoxyphenyl)thio]benzaldehyde,
AKOS005067940,
BP-11998,
2-[(3-methoxyphenyl)sulfanyl]benzaldehyde,
Benzaldehyde, 2-[(3-methoxyphenyl)thio]-,
2-((3-methoxyphenyl)thio)benzaldehyde,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.308g/mol |
| Monoisotopic Mass | 244.056g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number