| CAS Number | 1221722-36-6 |
| Catalog Number | AG01A7WF |
| Chemical Name | ethyl 6,8-dimethyl-1-oxo-4-sulfanyl-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate |
| IUPAC Name | ethyl 6,8-dimethyl-1-oxo-4-sulfanylidene-2,3-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxylate |
| InChI | InChI=1S/C11H13N3O3S/c1-4-17-10(16)7-5(2)8-9(15)12-13-11(18)14(8)6(7)3/h4H2,1-3H3,(H,12,15)(H,13,18) |
| InChI Key | JIVFXZJGIBYUMP-UHFFFAOYSA-N |
| MDL Number | MFCD14705854 |
| Molecular Formula | C11H13N3O3S |
| Molecular Weight | 267.3042 |
| SMILES | CCOC(C1=C(C)N2C(C(NN=C2S)=O)=C1C)=O |
| Synonyms | ethyl 6,8-dimethyl-1-oxo-4-sulfanyl-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate,
1221722-36-6,
AC1Q32N2,
CTK6F5203,
ZINC39947644,
AKOS033283620,
MCULE-7302564727,
NE19331,
EN300-60001,
Z1352877958,
|
| Complexity | 401 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.303g/mol |
| Monoisotopic Mass | 267.068g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number