| CAS Number | 2089257-31-6 |
| Catalog Number | AG01E7MV |
| Chemical Name | methyl N-(4-cyano-3-methyl-1,2-thiazol-5-yl)carbamate |
| IUPAC Name | methyl N-(4-cyano-3-methyl-1,2-thiazol-5-yl)carbamate |
| InChI | InChI=1S/C7H7N3O2S/c1-4-5(3-8)6(13-10-4)9-7(11)12-2/h1-2H3,(H,9,11) |
| InChI Key | YSTYLPLMRNIDGJ-UHFFFAOYSA-N |
| MDL Number | MFCD30724136 |
| Molecular Formula | C7H7N3O2S |
| Molecular Weight | 197.2144 |
| SMILES | COC(NC1=C(C#N)C(C)=NS1)=O |
| Synonyms | methyl N-(4-cyano-3-methyl-1,2-thiazol-5-yl)carbamate,
AKOS034020463,
ZINC584883106,
Z2760930325,
2089257-31-6,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.212g/mol |
| Monoisotopic Mass | 197.026g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 103A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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