| CAS Number | 1744-07-6 |
| Catalog Number | AG007UH7(AGN-PC-02JG7J) |
| Chemical Name | N,N'-Bis[4-(trifluoromethyl)phenyl]thiourea |
| IUPAC Name | 1,3-bis[4-(trifluoromethyl)phenyl]thiourea |
| InChI | InChI=1S/C15H10F6N2S/c16-14(17,18)9-1-5-11(6-2-9)22-13(24)23-12-7-3-10(4-8-12)15(19,20)21/h1-8H,(H2,22,23,24) |
| InChI Key | ABYZUZQRUYXHCW-UHFFFAOYSA-N |
| MDL Number | MFCD18191886 |
| Molecular Formula | C15H10F6N2S |
| Molecular Weight | 364.3087 |
| SMILES | S=C(Nc1ccc(cc1)C(F)(F)F)Nc1ccc(cc1)C(F)(F)F |
| Synonyms | 1,3-bis[4-(trifluoromethyl)phenyl]thiourea,
1744-07-6,
SCHEMBL9453957,
CTK0E4112,
DTXSID90599478,
MFCD18191886,
STL031932,
ZINC57429439,
AKOS005689065,
1,3-Bis(4-trifluoromethylphenyl)thiourea,
B4611,
N,N'-Bis[4-(trifluoromethyl)phenyl]thiourea,
Thiourea, N,N'-bis[4-(trifluoromethyl)phenyl]-,
1,3-bis(4-(trifluoromethyl)phenyl)thiourea,
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| Complexity | 383 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 364.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 364.309g/mol |
| Monoisotopic Mass | 364.047g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 56.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number