| CAS Number | 1225846-65-0 |
| Catalog Number | AG01A2K0 |
| Chemical Name | N-(2-carbamothioylethyl)-N-(propan-2-yl)acetamide |
| IUPAC Name | N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-ylacetamide |
| InChI | InChI=1S/C8H16N2OS/c1-6(2)10(7(3)11)5-4-8(9)12/h6H,4-5H2,1-3H3,(H2,9,12) |
| InChI Key | FZVWNYZQQDSBFL-UHFFFAOYSA-N |
| MDL Number | MFCD16106769 |
| Molecular Formula | C8H16N2OS |
| Molecular Weight | 188.2904 |
| SMILES | CC(N(C(C)=O)CCC(N)=S)C |
| Synonyms | N-(2-carbamothioylethyl)-N-(propan-2-yl)acetamide,
1225846-65-0,
ZINC41624188,
AKOS010848556,
NE41672,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.289g/mol |
| Monoisotopic Mass | 188.098g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number