| CAS Number | 926257-63-8 |
| Catalog Number | AG019VAV(AGN-PC-0WOAJW) |
| Chemical Name | 7-(hydroxymethyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one |
| IUPAC Name | 7-(hydroxymethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one |
| InChI | InChI=1S/C8H8N2O2S/c1-5-4-13-8-9-6(3-11)2-7(12)10(5)8/h2,4,11H,3H2,1H3 |
| InChI Key | CFFHJFDYYKPWHN-UHFFFAOYSA-N |
| MDL Number | MFCD08442964 |
| Molecular Formula | C8H8N2O2S |
| Molecular Weight | 196.2263 |
| SMILES | CC1N2C(=NC(=CC2=O)CO)SC=1 |
| Synonyms | 7-(hydroxymethyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one,
926257-63-8,
7-(hydroxymethyl)-3-methyl-5H-pyrimido[2,1-b][1,3]thiazol-5-one,
AC1Q2OOU,
CTK8A2460,
ZINC21952339,
AKOS000126032,
MCULE-2410478461,
EN300-44273,
AB00987539-01,
7-(hydroxymethyl)-3-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one,
5H-Thiazolo[3,2-a]pyrimidin-5-one, 7-(hydroxymethyl)-3-methyl,
|
| Complexity | 357 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.224g/mol |
| Monoisotopic Mass | 196.031g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 78.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number