| CAS Number | 1088204-17-4 |
| Catalog Number | AG01BE4Q |
| Chemical Name | N-cyclopropyl-4-(methylsulfanyl)benzamide |
| IUPAC Name | N-cyclopropyl-4-methylsulfanylbenzamide |
| InChI | InChI=1S/C11H13NOS/c1-14-10-6-2-8(3-7-10)11(13)12-9-4-5-9/h2-3,6-7,9H,4-5H2,1H3,(H,12,13) |
| InChI Key | ZPEUMWXRXJPJFU-UHFFFAOYSA-N |
| MDL Number | MFCD10651321 |
| Molecular Formula | C11H13NOS |
| Molecular Weight | 207.2920 |
| SMILES | CSC1=CC=C(C(NC2CC2)=O)C=C1 |
| Synonyms | N-cyclopropyl-4-(methylsulfanyl)benzamide,
1088204-17-4,
ZINC13019358,
AKOS008955602,
MCULE-8787663795,
NE56691,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.291g/mol |
| Monoisotopic Mass | 207.072g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number