| CAS Number | 946666-76-8 |
| Catalog Number | AG019L1Z(AGN-PC-01KUVF) |
| Chemical Name | 2-[({5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]acetic acid |
| IUPAC Name | 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]acetic acid |
| InChI | InChI=1S/C9H8N2O3S2/c12-7-3-6(4-15-5-8(13)14)10-9-11(7)1-2-16-9/h1-3H,4-5H2,(H,13,14) |
| InChI Key | YBLIDSVDNAXNKL-UHFFFAOYSA-N |
| MDL Number | MFCD09971342 |
| Molecular Formula | C9H8N2O3S2 |
| Molecular Weight | 256.3014 |
| SMILES | OC(CSCC1N=C2N(C=CS2)C(=O)C=1)=O |
| Synonyms | 946666-76-8,
2-[({5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]acetic acid,
2-[[(5-oxo-5h-thiazolo[3,2-a]pyrimidin-7-yl)methyl]thio]acetic acid,
{[(5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]thio}acetic acid,
AC1Q76FQ,
CTK7J5869,
ZINC8728793,
AKOS008907446,
MCULE-1645360023,
NE28177,
DB-079995,
FT-0706362,
EN300-29579,
666O768,
Z19691239,
|
| Complexity | 429 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.998g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.294g/mol |
| Monoisotopic Mass | 255.998g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 121A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number