| CAS Number | 16642-95-8 |
| Catalog Number | AG01BC0R(AGN-PC-0Q8VXU) |
| Chemical Name | 1-Butanesulfinic acid, sodium salt |
| IUPAC Name | sodium;butane-1-sulfinate |
| InChI | InChI=1S/C4H10O2S.Na/c1-2-3-4-7(5)6;/h2-4H2,1H3,(H,5,6);/q;+1/p-1 |
| InChI Key | VTAJDQFLLQYMCM-UHFFFAOYSA-M |
| MDL Number | MFCD18379710 |
| Molecular Formula | C4H9NaO2S |
| Molecular Weight | 144.1678 |
| SMILES | CCCCS(=O)[O-].[Na+] |
| Synonyms | N-Butanesulfinic acid sodium salt,
Sodium butane-1-sulfinate,
16642-95-8,
sodium butanesulfinate,
SCHEMBL10692645,
DTXSID20634987,
VTAJDQFLLQYMCM-UHFFFAOYSA-M,
AKOS006315578,
|
| Complexity | 67.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.164g/mol |
| Monoisotopic Mass | 144.022g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number