| CAS Number | 923711-94-8 |
| Catalog Number | AG019K2X |
| Chemical Name | 2-(Morpholin-4-ylmethyl)quinazoline-4-thiol |
| IUPAC Name | 2-(morpholin-4-ylmethyl)-1H-quinazoline-4-thione |
| InChI | InChI=1S/C13H15N3OS/c18-13-10-3-1-2-4-11(10)14-12(15-13)9-16-5-7-17-8-6-16/h1-4H,5-9H2,(H,14,15,18) |
| InChI Key | QBYSPXSPXRIZCC-UHFFFAOYSA-N |
| MDL Number | MFCD08444331 |
| Molecular Formula | C13H15N3OS |
| Molecular Weight | 261.3427 |
| SMILES | SC1=C2C(C=CC=C2)=NC(CN2CCOCC2)=N1 |
| Synonyms | 2-(morpholin-4-ylmethyl)quinazoline-4-thiol,
923711-94-8,
AC1Q7GAI,
CTK8A8356,
CTK8F3661,
ZINC12505062,
AKOS000119294,
MCULE-9907789607,
NE35551,
2-(morpholinomethyl)quinazoline-4-thiol,
EN300-25319,
2-[(morpholin-4-yl)methyl]quinazoline-4-thiol,
AB00754856-01,
Z208155030,
|
| Complexity | 352 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.343g/mol |
| Monoisotopic Mass | 261.094g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number