| CAS Number | 2126162-87-4 |
| Catalog Number | AG01EIOY |
| Chemical Name | 4-methoxy-5-methyl-1,3-thiazole-2-carbothioamide |
| IUPAC Name | 4-methoxy-5-methyl-1,3-thiazole-2-carbothioamide |
| InChI | InChI=1S/C6H8N2OS2/c1-3-5(9-2)8-6(11-3)4(7)10/h1-2H3,(H2,7,10) |
| InChI Key | ODAGJYDGJQKUIH-UHFFFAOYSA-N |
| MDL Number | MFCD31381450 |
| Molecular Formula | C6H8N2OS2 |
| Molecular Weight | 188.2705 |
| SMILES | COC1=C(C)SC(C(N)=S)=N1 |
| Synonyms | 4-Methoxy-5-methyl-1,3-thiazole-2-carbothioamide,
2126162-87-4,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.263g/mol |
| Monoisotopic Mass | 188.008g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number