| CAS Number | 2137602-48-1 |
| Catalog Number | AG01EIN4 |
| Chemical Name | 2-methanesulfonyl-2-methylpropanethioamide |
| IUPAC Name | 2-methyl-2-methylsulfonylpropanethioamide |
| InChI | InChI=1S/C5H11NO2S2/c1-5(2,4(6)9)10(3,7)8/h1-3H3,(H2,6,9) |
| InChI Key | WOCIUJHUPDXLEA-UHFFFAOYSA-N |
| MDL Number | MFCD31421794 |
| Molecular Formula | C5H11NO2S2 |
| Molecular Weight | 181.2763 |
| SMILES | CC(S(C)(=O)=O)(C(N)=S)C |
| Synonyms | 2-methanesulfonyl-2-methylpropanethioamide,
2137602-48-1,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.268g/mol |
| Monoisotopic Mass | 181.023g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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