| CAS Number | 933714-87-5 |
| Catalog Number | AG01A3QK(AGN-PC-0WO85J) |
| Chemical Name | 3-(Methylsulfamoyl)propanoic acid |
| IUPAC Name | 3-(methylsulfamoyl)propanoic acid |
| InChI | InChI=1S/C4H9NO4S/c1-5-10(8,9)3-2-4(6)7/h5H,2-3H2,1H3,(H,6,7) |
| InChI Key | MZDBJRROCIFXFX-UHFFFAOYSA-N |
| MDL Number | MFCD11168961 |
| Molecular Formula | C4H9NO4S |
| Molecular Weight | 167.1836 |
| SMILES | CNS(CCC(O)=O)(=O)=O |
| Synonyms | 3-(methylsulfamoyl)propanoic acid,
933714-87-5,
SCHEMBL17337458,
ZINC20244738,
AKOS009205018,
MCULE-4872511761,
NE19312,
3-[(Methylamino)sulfonyl]propanoic acid,
Z1816233868,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.179g/mol |
| Monoisotopic Mass | 167.025g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number