| CAS Number | 111035-51-9 |
| Catalog Number | AG019LEZ(AGN-PC-05C5PS) |
| Chemical Name | 3-[(Carbamoylmethyl)sulfanyl]propanoic acid |
| IUPAC Name | 3-(2-amino-2-oxoethyl)sulfanylpropanoic acid |
| InChI | InChI=1S/C5H9NO3S/c6-4(7)3-10-2-1-5(8)9/h1-3H2,(H2,6,7)(H,8,9) |
| InChI Key | NPYLQGLCFWKKQV-UHFFFAOYSA-N |
| MDL Number | MFCD09971379 |
| Molecular Formula | C5H9NO3S |
| Molecular Weight | 163.1949 |
| SMILES | NC(CSCCC(O)=O)=O |
| Synonyms | 3-[(carbamoylmethyl)sulfanyl]propanoic acid,
3-[(2-amino-2-oxoethyl)thio]propanoic acid,
111035-51-9,
AC1Q4ZSJ,
SCHEMBL8257926,
CTK7J4657,
ZINC19687427,
AKOS000202262,
MCULE-5092203912,
NE60613,
EN300-31015,
Z17834964,
|
| Complexity | 137 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.191g/mol |
| Monoisotopic Mass | 163.03g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number