| CAS Number | 1019345-48-2 |
| Catalog Number | AG01A2CO |
| Chemical Name | N-(2-carbamothioylethyl)-N-methylacetamide |
| IUPAC Name | N-(3-amino-3-sulfanylidenepropyl)-N-methylacetamide |
| InChI | InChI=1S/C6H12N2OS/c1-5(9)8(2)4-3-6(7)10/h3-4H2,1-2H3,(H2,7,10) |
| InChI Key | HLSDYDDIZHOADE-UHFFFAOYSA-N |
| MDL Number | MFCD11130020 |
| Molecular Formula | C6H12N2OS |
| Molecular Weight | 160.2373 |
| SMILES | CN(C(C)=O)CCC(N)=S |
| Synonyms | N-(2-carbamothioylethyl)-N-methylacetamide,
1019345-48-2,
ZINC19834449,
AKOS000208855,
NE25156,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.235g/mol |
| Monoisotopic Mass | 160.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number