| CAS Number | 950094-51-6 |
| Catalog Number | AG019L3V |
| Chemical Name | N-[4-(Aminocarbonothioyl)phenyl]propanamide |
| IUPAC Name | N-(4-carbamothioylphenyl)propanamide |
| InChI | InChI=1S/C10H12N2OS/c1-2-9(13)12-8-5-3-7(4-6-8)10(11)14/h3-6H,2H2,1H3,(H2,11,14)(H,12,13) |
| InChI Key | SPBXADDLMDSLGW-UHFFFAOYSA-N |
| MDL Number | MFCD09863286 |
| Molecular Formula | C10H12N2OS |
| Molecular Weight | 208.2801 |
| SMILES | CCC(NC1=CC=C(C(N)=S)C=C1)=O |
| Synonyms | N-(4-carbamothioylphenyl)propanamide,
N-[4-(aminocarbonothioyl)phenyl]propanamide,
950094-51-6,
AC1Q2RSM,
CTK6C6709,
ZINC12804042,
AKOS000198071,
MCULE-6180979646,
NE14543,
EN300-29746,
Z235362799,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.279g/mol |
| Monoisotopic Mass | 208.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 87.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number