| CAS Number | 1240527-46-1 |
| Catalog Number | AG01A9I4 |
| Chemical Name | N-(3-chloro-4-cyanophenyl)(propan-2-yloxy)carbothioamide |
| IUPAC Name | O-propan-2-yl N-(3-chloro-4-cyanophenyl)carbamothioate |
| InChI | InChI=1S/C11H11ClN2OS/c1-7(2)15-11(16)14-9-4-3-8(6-13)10(12)5-9/h3-5,7H,1-2H3,(H,14,16) |
| InChI Key | KQONCFCZEYDGPM-UHFFFAOYSA-N |
| MDL Number | MFCD16622090 |
| Molecular Formula | C11H11ClN2OS |
| Molecular Weight | 254.7358 |
| SMILES | CC(OC(NC1=CC(Cl)=C(C#N)C=C1)=S)C |
| Synonyms | N-(3-chloro-4-cyanophenyl)(propan-2-yloxy)carbothioamide,
EN300-65163,
1240527-46-1,
AC1Q1QLC,
ZINC57218412,
NE24670,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.732g/mol |
| Monoisotopic Mass | 254.028g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 77.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number