| CAS Number | 90980-10-2 |
| Catalog Number | AG00GUWJ(AGN-PC-0WOK5V) |
| Chemical Name | 2-Methyloxazole-4-carbothioamide |
| IUPAC Name | 2-methyl-1,3-oxazole-4-carbothioamide |
| InChI | InChI=1S/C5H6N2OS/c1-3-7-4(2-8-3)5(6)9/h2H,1H3,(H2,6,9) |
| InChI Key | IWWCFZYMVZDVHG-UHFFFAOYSA-N |
| MDL Number | MFCD11052650 |
| Molecular Formula | C5H6N2OS |
| Molecular Weight | 142.1789 |
| SMILES | S=C(C1=COC(C)=N1)N |
| Synonyms | 2-METHYLOXAZOLE-4-CARBOTHIOAMIDE,
90980-10-2,
4-Oxazolecarbothioamide, 2-methyl-,
MFCD11052650,
ZINC30677881,
AKOS006308661,
2-methyl-1,3-oxazole-4-carbothioamide,
2-Methyl-1,3-oxazole-4-thiocarboxamide,
2-Methyl-1,3-oxazole-4-carbothioic acid amide,
2-methyloxazole-4-carbothioamide, 95% - 1G 1g,
|
| Complexity | 128 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.176g/mol |
| Monoisotopic Mass | 142.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 84.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number