| CAS Number | 25688-84-0 |
| Catalog Number | AG019ZZ0(AGN-PC-0K5T2L) |
| Chemical Name | (2-Phenoxyphenyl)thiourea |
| IUPAC Name | (2-phenoxyphenyl)thiourea |
| InChI | InChI=1S/C13H12N2OS/c14-13(17)15-11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H,(H3,14,15,17) |
| InChI Key | WKPZJSIVHLJVQM-UHFFFAOYSA-N |
| MDL Number | MFCD03305347 |
| Molecular Formula | C13H12N2OS |
| Molecular Weight | 244.3122 |
| SMILES | NC(NC1=C(OC2=CC=CC=C2)C=CC=C1)=S |
| Synonyms | (2-phenoxyphenyl)thiourea,
25688-84-0,
AC1LRYZU,
N-(2-phenoxyphenyl)thiourea,
1-(2-phenoxyphenyl)thiourea,
SCHEMBL7815135,
SCHEMBL9460934,
WKPZJSIVHLJVQM-UHFFFAOYSA-N,
KS-00002Y2V,
ZINC1392578,
AKOS005075735,
MCULE-4089367378,
NE37543,
RP28664,
10N-002,
ZINC01392578,
CID1479735,
|
| 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 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number