| CAS Number | 1353878-23-5 |
| Catalog Number | AG00IUWC(AGN-PC-0WB0RI) |
| Chemical Name | 1-[(4-Chlorophenyl)carbonyl]-3-[5-(trifluoromethyl)pyridin-2-yl]thiourea |
| IUPAC Name | 4-chloro-N-[[5-(trifluoromethyl)pyridin-2-yl]carbamothioyl]benzamide |
| InChI | InChI=1S/C14H9ClF3N3OS/c15-10-4-1-8(2-5-10)12(22)21-13(23)20-11-6-3-9(7-19-11)14(16,17)18/h1-7H,(H2,19,20,21,22,23) |
| InChI Key | PUCLMEDXRLOLNS-UHFFFAOYSA-N |
| MDL Number | MFCD20921588 |
| Molecular Formula | C14H9ClF3N3OS |
| Molecular Weight | 359.7540 |
| SMILES | ClC2(=CC=C(C(=O)NC(=S)NC1(=NC=C(C(F)(F)F)C=C1))C=C2) |
| Synonyms | 1353878-23-5,
1-(4-chlorobenzoyl)-3-[5-(trifluoromethyl)pyridin-2-yl]thiourea,
1-[(4-chlorophenyl)carbonyl]-3-[5-(trifluoromethyl)pyridin-2-yl]thiourea,
ZX-RL003143,
MFCD20921588,
ZINC71789014,
AKOS015991526,
LF-0095,
RP16970,
KS-000027J9,
PC200262,
chlorophenylcarbonyltrifluoromethylpyridinylthiourea,
1-[(4-Chlorophenyl)carbonyl]-3-[5-(trifluoromethyl)-pyridin-2-yl]thiourea,
|
| Complexity | 442 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 359.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 359.751g/mol |
| Monoisotopic Mass | 359.011g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 86.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
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Certificate of Analysis
Lot Number