| CAS Number | 1275151-73-9 |
| Catalog Number | AG01A2K1 |
| Chemical Name | N-(2-carbamothioylethyl)-N-ethylacetamide |
| IUPAC Name | N-(3-amino-3-sulfanylidenepropyl)-N-ethylacetamide |
| InChI | InChI=1S/C7H14N2OS/c1-3-9(6(2)10)5-4-7(8)11/h3-5H2,1-2H3,(H2,8,11) |
| InChI Key | VPDWTPNMTGOXTC-UHFFFAOYSA-N |
| MDL Number | MFCD16049149 |
| Molecular Formula | C7H14N2OS |
| Molecular Weight | 174.2639 |
| SMILES | CCN(C(C)=O)CCC(N)=S |
| Synonyms | N-(2-carbamothioylethyl)-N-ethylacetamide,
1275151-73-9,
ZINC44413390,
AKOS010839333,
NE39508,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.262g/mol |
| Monoisotopic Mass | 174.083g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number