| CAS Number | 1206641-15-7 |
| Catalog Number | AG0095NC(AGN-PC-0WAXXF) |
| Chemical Name | Ethyl N-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]carbamothioyl}carbamate |
| IUPAC Name | ethyl N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]carbamothioyl]carbamate |
| InChI | InChI=1S/C10H9ClF3N3O2S/c1-2-19-9(18)17-8(20)16-7-6(11)3-5(4-15-7)10(12,13)14/h3-4H,2H2,1H3,(H2,15,16,17,18,20) |
| InChI Key | PBDFIFSELOFIOP-UHFFFAOYSA-N |
| MDL Number | MFCD22383949 |
| Molecular Formula | C10H9ClF3N3O2S |
| Molecular Weight | 327.7106 |
| SMILES | ClC1(=C(N=CC(=C1)C(F)(F)F)NC(=S)NC(=O)OCC) |
| Synonyms | ethyl N-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]carbamothioyl}carbamate,
1206641-15-7,
KS-00001PV2,
ZX-RL000505,
MFCD22383949,
ZINC76816428,
AKOS016028461,
AG-0018,
PC200004,
Ethyl N-{[3-chloro-5-(trifluoromethyl)-pyridin-2-yl]carbamothioyl}carbamate,
|
| Complexity | 370 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 327.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 327.706g/mol |
| Monoisotopic Mass | 327.006g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 95.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number