| CAS Number | 887266-93-5 |
| Catalog Number | AG00IFD2(AGN-PC-0WQYDA) |
| Chemical Name | 1-Benzoyl-3-(2,5-difluorophenyl)thiourea |
| IUPAC Name | N-[(2,5-difluorophenyl)carbamothioyl]benzamide |
| InChI | InChI=1S/C14H10F2N2OS/c15-10-6-7-11(16)12(8-10)17-14(20)18-13(19)9-4-2-1-3-5-9/h1-8H,(H2,17,18,19,20) |
| InChI Key | JBPQMPVYIWBOAV-UHFFFAOYSA-N |
| MDL Number | MFCD07368703 |
| Molecular Formula | C14H10F2N2OS |
| Molecular Weight | 292.3038 |
| SMILES | S=C(NC1=CC(F)=CC=C1F)NC(C2=CC=CC=C2)=O |
| Synonyms | 1-Benzoyl-3-(2,5-difluorophenyl)thiourea,
887266-93-5,
AKOS025393475,
PC10451,
PS-7167,
3-benzoyl-1-(2,5-difluorophenyl)thiourea,
CID2783360,
N-[(2,5-difluorophenyl)thiocarbamoyl]benzamide,
N-((2,5-Difluorophenyl)carbamothioyl)benzamide,
N-[(2,5-difluorophenyl)carbamothioyl]benzamide,
AC1MD4CT,
CTK8A7375,
KS-00003QZV,
ZX-AP002695,
MFCD07368703,
ZINC16125815,
|
| Complexity | 361 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.304g/mol |
| Monoisotopic Mass | 292.048g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 73.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number