| CAS Number | 887481-46-1 |
| Catalog Number | AG01AFT8 |
| Chemical Name | N-methoxy-N-methylthiane-4-carboxamide |
| IUPAC Name | N-methoxy-N-methylthiane-4-carboxamide |
| InChI | InChI=1S/C8H15NO2S/c1-9(11-2)8(10)7-3-5-12-6-4-7/h7H,3-6H2,1-2H3 |
| InChI Key | JICXQBVSROKJLD-UHFFFAOYSA-N |
| MDL Number | MFCD27500996 |
| Molecular Formula | C8H15NO2S |
| Molecular Weight | 189.2752 |
| SMILES | CON(C(C1CCSCC1)=O)C |
| Synonyms | 887481-46-1,
N-methoxy-N-methylthiane-4-carboxamide,
N-Methoxy-N-methyltetrahydro-2H-thiopyran-4-carboxamide,
SCHEMBL15564537,
JICXQBVSROKJLD-UHFFFAOYSA-N,
2H-Thiopyran-4-carboxamide, tetrahydro-N-methoxy-N-methyl-,
ZINC95883996,
N-methoxy-N-methyl-tetrahydrothiopyran-4-carboxamide,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.273g/mol |
| Monoisotopic Mass | 189.082g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number