| CAS Number | 4403-73-0 |
| Catalog Number | AG01C40O(AGN-PC-0KS8AS) |
| Chemical Name | Phenylmethanesulfinic acid |
| IUPAC Name | phenylmethanesulfinic acid |
| InChI | InChI=1S/C7H8O2S/c8-10(9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,8,9) |
| InChI Key | NVSONFIVLCXXDH-UHFFFAOYSA-N |
| MDL Number | MFCD28361626 |
| Molecular Formula | C7H8O2S |
| Molecular Weight | 156.2022 |
| SMILES | OS(CC1=CC=CC=C1)=O |
| Synonyms | phenylmethanesulfinic acid,
4403-73-0,
Benzenemethanesulfinic acid,
Benzylfulfinic acid,
AC1MNXPH,
SCHEMBL50116,
SCHEMBL14899852,
ZINC12503424,
AKOS034180469,
Benzylsulfinic Acid,
Phenylmethanesulfonic acid,
D0PA1G,
CID3311411,
PMS,
|
| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.199g/mol |
| Monoisotopic Mass | 156.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 56.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number