| CAS Number | 76839-22-0 |
| Catalog Number | AG008P37(AGN-PC-0LPIY6) |
| Chemical Name | (3-phenoxyphenyl)thiourea |
| IUPAC Name | (3-phenoxyphenyl)thiourea |
| InChI | InChI=1S/C13H12N2OS/c14-13(17)15-10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H3,14,15,17) |
| InChI Key | NYAJJEYQQQLXHZ-UHFFFAOYSA-N |
| MDL Number | MFCD16248006 |
| Molecular Formula | C13H12N2OS |
| Molecular Weight | 244.3122 |
| SMILES | NC(NC1=CC(OC2=CC=CC=C2)=CC=C1)=S |
| Synonyms | (3-phenoxyphenyl)thiourea,
76839-22-0,
Thiourea, (3-phenoxyphenyl)-,
AC1NQQI8,
CHEMBL507726,
SCHEMBL3425886,
CTK2G7263,
DTXSID10415005,
Thiourea, N-(3-phenoxyphenyl)-,
ZINC33818093,
AKOS011051126,
NE20146,
Z2738323995,
AIDS247042,
CID5277305,
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| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.312g/mol |
| Monoisotopic Mass | 244.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 79.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number