| CAS Number | 235101-42-5 |
| Catalog Number | AG01A6RV |
| Chemical Name | [3-(Trifluoromethoxy)phenyl]thiourea |
| IUPAC Name | [3-(trifluoromethoxy)phenyl]thiourea |
| InChI | InChI=1S/C8H7F3N2OS/c9-8(10,11)14-6-3-1-2-5(4-6)13-7(12)15/h1-4H,(H3,12,13,15) |
| InChI Key | NUKZFXJCTVTPSO-UHFFFAOYSA-N |
| MDL Number | MFCD10694257 |
| Molecular Formula | C8H7F3N2OS |
| Molecular Weight | 236.2142 |
| SMILES | NC(NC1=CC(OC(F)(F)F)=CC=C1)=S |
| Synonyms | 235101-42-5,
[3-(trifluoromethoxy)phenyl]thiourea,
N-[3-(trifluoromethoxy)phenyl]thiourea,
1-(3-(Trifluoromethoxy)phenyl)thiourea,
3-Trifluoromethoxyphenylthiourea,
SCHEMBL4334835,
NUKZFXJCTVTPSO-UHFFFAOYSA-N,
(3-Trifluoromethoxy-phenyl)-thiourea,
ZINC34971925,
SC-64659,
CID10585869,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.212g/mol |
| Monoisotopic Mass | 236.023g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 79.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number