| CAS Number | 1099678-65-5 |
| Catalog Number | AG01A8LD |
| Chemical Name | 3-methoxy-2-methylpropanethioamide |
| IUPAC Name | 3-methoxy-2-methylpropanethioamide |
| InChI | InChI=1S/C5H11NOS/c1-4(3-7-2)5(6)8/h4H,3H2,1-2H3,(H2,6,8) |
| InChI Key | ZRPQZFODWXAEJB-UHFFFAOYSA-N |
| MDL Number | MFCD11654202 |
| Molecular Formula | C5H11NOS |
| Molecular Weight | 133.2119 |
| SMILES | COCC(C(N)=S)C |
| Synonyms | 3-methoxy-2-methylpropanethioamide,
1099678-65-5,
AC1Q4FHT,
NE22977,
EN300-61905,
|
| Complexity | 84.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 133.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 133.209g/mol |
| Monoisotopic Mass | 133.056g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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