| CAS Number | 37794-15-3 |
| Catalog Number | AG00CHBH(AGN-PC-0KNVWU) |
| Chemical Name | 4-methanesulfinylbenzaldehyde |
| EC Number | 253-669-8 |
| IUPAC Name | 4-methylsulfinylbenzaldehyde |
| InChI | InChI=1S/C8H8O2S/c1-11(10)8-4-2-7(6-9)3-5-8/h2-6H,1H3 |
| InChI Key | NZJSGBXNOJOCJI-UHFFFAOYSA-N |
| MDL Number | MFCD18253462 |
| Molecular Formula | C8H8O2S |
| Molecular Weight | 168.2129 |
| SMILES | CS(C1=CC=C(C=O)C=C1)=O |
| Synonyms | 4-(methylsulfinyl)benzaldehyde,
4-methanesulfinylbenzaldehyde,
37794-15-3,
p-(Methylsulphinyl)benzaldehyde,
para-methylsulfinylbenzaldehyde,
EINECS 253-669-8,
4-methylsulfinylbenzaldehyde,
AC1MI23Y,
SCHEMBL518404,
4-(methylsulfinyl)-benzaldehyde,
CTK8I4879,
NZJSGBXNOJOCJI-UHFFFAOYSA-N,
P-METHYLSULFINYL BENZALDEHYDE,
AKOS015969566,
NE39253,
DB-007845,
FT-0704187,
p- benzaldehyde,
C8-H8-O2-S,
CID3015943,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.21g/mol |
| Monoisotopic Mass | 168.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number