| CAS Number | 1096845-76-9 |
| Catalog Number | AG019WJC(AGN-PC-0WO5KF) |
| Chemical Name | 2-isothiocyanato-N,N-dimethylacetamide |
| IUPAC Name | 2-isothiocyanato-N,N-dimethylacetamide |
| InChI | InChI=1S/C5H8N2OS/c1-7(2)5(8)3-6-4-9/h3H2,1-2H3 |
| InChI Key | LYUDHYFVCISADE-UHFFFAOYSA-N |
| MDL Number | MFCD11639030 |
| Molecular Formula | C5H8N2OS |
| Molecular Weight | 144.1948 |
| SMILES | CN(C(CN=C=S)=O)C |
| Synonyms | 2-isothiocyanato-N,N-dimethylacetamide,
1096845-76-9,
AC1Q3VZI,
CTK6H9160,
ZINC36379838,
AKOS009450468,
NE36239,
EN300-52157,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.192g/mol |
| Monoisotopic Mass | 144.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number