| CAS Number | 923693-82-7 |
| Catalog Number | AG019K3C |
| Chemical Name | N-[4-(Aminocarbonothioyl)phenyl]cyclopropanecarboxamide |
| IUPAC Name | N-(4-carbamothioylphenyl)cyclopropanecarboxamide |
| InChI | InChI=1S/C11H12N2OS/c12-10(15)7-3-5-9(6-4-7)13-11(14)8-1-2-8/h3-6,8H,1-2H2,(H2,12,15)(H,13,14) |
| InChI Key | BRXRKGSGNXCBEW-UHFFFAOYSA-N |
| MDL Number | MFCD08444346 |
| Molecular Formula | C11H12N2OS |
| Molecular Weight | 220.2908 |
| SMILES | NC(C1=CC=C(NC(C2CC2)=O)C=C1)=S |
| Synonyms | N-(4-carbamothioylphenyl)cyclopropanecarboxamide,
N-[4-(aminocarbonothioyl)phenyl]cyclopropanecarboxamide,
923693-82-7,
AC1Q4ZZ9,
CTK7F6188,
ZINC9664691,
AKOS000198072,
MCULE-6331398052,
NE13858,
EN300-25373,
Z210803610,
|
| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.29g/mol |
| Monoisotopic Mass | 220.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 87.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number