| CAS Number | 919466-99-2 |
| Catalog Number | AG019VAB(AGN-PC-0WOCB3) |
| Chemical Name | 3-(pyrimidin-2-ylsulfanyl)propanoic acid |
| IUPAC Name | 3-pyrimidin-2-ylsulfanylpropanoic acid |
| InChI | InChI=1S/C7H8N2O2S/c10-6(11)2-5-12-7-8-3-1-4-9-7/h1,3-4H,2,5H2,(H,10,11) |
| InChI Key | IXIVLKHHLBUYME-UHFFFAOYSA-N |
| MDL Number | MFCD09929628 |
| Molecular Formula | C7H8N2O2S |
| Molecular Weight | 184.2156 |
| SMILES | OC(CCSC1=NC=CC=N1)=O |
| Synonyms | 3-(pyrimidin-2-ylsulfanyl)propanoic acid,
919466-99-2,
3-pyrimidin-2-ylsulfanylpropanoic Acid,
CID9484413,
AC1Q75QY,
CTK7J4643,
ZINC8362790,
AKOS000172470,
MCULE-9070638246,
EN300-44236,
AB00997139-01,
Z102922408,
|
| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.213g/mol |
| Monoisotopic Mass | 184.031g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 88.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number