| CAS Number | 405924-32-5 |
| Catalog Number | AG019GTQ |
| Chemical Name | 2-(1,3-benzothiazol-2-ylsulfanyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde |
| IUPAC Name | 2-(1,3-benzothiazol-2-ylsulfanyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde |
| InChI | InChI=1S/C16H9N3O2S2/c20-9-10-14(18-13-7-3-4-8-19(13)15(10)21)23-16-17-11-5-1-2-6-12(11)22-16/h1-9H |
| InChI Key | AIOKOMMZSZESMW-UHFFFAOYSA-N |
| MDL Number | MFCD02323221 |
| Molecular Formula | C16H9N3O2S2 |
| Molecular Weight | 339.3916 |
| SMILES | O=CC1C(=O)N2C(C=CC=C2)=NC=1SC1SC2=C(C=CC=C2)N=1 |
| Synonyms | 2-(1,3-benzothiazol-2-ylsulfanyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde,
405924-32-5,
2-(Benzothiazol-2-ylsulfanyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde,
AC1M26DH,
AC1Q6PS0,
CTK7H8408,
ZINC2648376,
MFCD02323221,
STL221179,
AKOS000122225,
MCULE-4600193698,
NE37961,
EN300-01126,
2-(1,3-benzothiazol-2-ylsulfanyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde,
ZINC02648376,
CID2111479,
|
| Complexity | 668 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 339.387g/mol |
| Monoisotopic Mass | 339.014g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 116A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number