| CAS Number | 1134308-80-7 |
| Catalog Number | AG019L7N |
| Chemical Name | 2-[(propylamino)methyl]-3H,4H-thieno[3,2-d]pyrimidin-4-one hydrochloride |
| IUPAC Name | 2-(propylaminomethyl)-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride |
| InChI | InChI=1S/C10H13N3OS.ClH/c1-2-4-11-6-8-12-7-3-5-15-9(7)10(14)13-8;/h3,5,11H,2,4,6H2,1H3,(H,12,13,14);1H |
| InChI Key | YCKSYAHOIXXBNZ-UHFFFAOYSA-N |
| MDL Number | MFCD10558901 |
| Molecular Formula | C10H14ClN3OS |
| Molecular Weight | 259.7557 |
| SMILES | Cl.CCCNCC1NC(=O)C2=C(C=CS2)N=1 |
| Synonyms | 2-[(propylamino)methyl]-3H,4H-thieno[3,2-d]pyrimidin-4-one hydrochloride,
EN300-30355,
1134308-80-7,
AC1Q39R2,
CTK6E5442,
CTK8F3925,
MCULE-4542355632,
NE62646,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.752g/mol |
| Monoisotopic Mass | 259.055g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 81.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number