| CAS Number | 1124382-96-2 |
| Catalog Number | AG00HCE7 |
| Chemical Name | Ethyl (((5-bromo-6-methylpyridin-2-yl)amino)carbonothioyl)carbamate |
| IUPAC Name | ethyl N-[(5-bromo-6-methylpyridin-2-yl)carbamothioyl]carbamate |
| InChI | InChI=1S/C10H12BrN3O2S/c1-3-16-10(15)14-9(17)13-8-5-4-7(11)6(2)12-8/h4-5H,3H2,1-2H3,(H2,12,13,14,15,17) |
| InChI Key | FEWIOOYDNPJMRQ-UHFFFAOYSA-N |
| MDL Number | MFCD28404769 |
| Molecular Formula | C10H12BrN3O2S |
| Molecular Weight | 318.1902 |
| SMILES | BrC=1C=CC(=NC1C)NC(=S)NC(OCC)=O |
| Synonyms | Ethyl (((5-bromo-6-methylpyridin-2-yl)amino)carbonothioyl)carbamate,
1124382-96-2,
SCHEMBL12317134,
FEWIOOYDNPJMRQ-UHFFFAOYSA-N,
MFCD28404769,
AKOS027339175,
ZINC202493067,
ethyl[(5-bromo-6-methylpyridin-2-yl)carbamothioyl]carbamate,
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| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.983g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.189g/mol |
| Monoisotopic Mass | 316.983g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 95.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number