| CAS Number | 128069-60-3 |
| Catalog Number | AG01EHTO(AGN-PC-0PIQ2L) |
| Chemical Name | methyl 4H,5H,6H,7H,8H-[1,3]thiazolo[5,4-b]azepine-2-carboxylate |
| IUPAC Name | methyl 5,6,7,8-tetrahydro-4H-[1,3]thiazolo[5,4-b]azepine-2-carboxylate |
| InChI | InChI=1S/C9H12N2O2S/c1-13-9(12)8-11-6-4-2-3-5-10-7(6)14-8/h10H,2-5H2,1H3 |
| InChI Key | NPTNZDAKRVZNDU-UHFFFAOYSA-N |
| MDL Number | MFCD24391108 |
| Molecular Formula | C9H12N2O2S |
| Molecular Weight | 212.2688 |
| SMILES | COC(C1SC2=C(CCCCN2)N=1)=O |
| Synonyms | methyl 4H,5H,6H,7H,8H-[1,3]thiazolo[5,4-b]azepine-2-carboxylate,
SCHEMBL8314044,
128069-60-3,
CID10375889,
Methyl 8-thia-6,10-diazabicyclo[5.3.0]deca-9,11-diene-9-carboxylate,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.267g/mol |
| Monoisotopic Mass | 212.062g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 79.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number