| CAS Number | 815612-78-3 |
| Catalog Number | AG00ID6Y(AGN-PC-0WOJEI) |
| Chemical Name | 1-Benzoyl-3-(5-chloro-2-hydroxyphenyl)thiourea |
| IUPAC Name | N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]benzamide |
| InChI | InChI=1S/C14H11ClN2O2S/c15-10-6-7-12(18)11(8-10)16-14(20)17-13(19)9-4-2-1-3-5-9/h1-8,18H,(H2,16,17,19,20) |
| InChI Key | WHFXJMSBLHKYQJ-UHFFFAOYSA-N |
| MDL Number | MFCD05877780 |
| Molecular Formula | C14H11ClN2O2S |
| Molecular Weight | 306.7673 |
| SMILES | C(C1=CC=CC=C1)(=O)NC(=S)NC1=C(C=CC(=C1)Cl)O |
| Synonyms | 1-Benzoyl-3-(5-chloro-2-hydroxyphenyl)thiourea,
815612-78-3,
AC1NKRAJ,
ZINC14006066,
AKOS003451113,
N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]benzamide,
CID4942251,
N-[(5-chloro-2-hydroxy-phenyl)thiocarbamoyl]benzamide,
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| Complexity | 361 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.764g/mol |
| Monoisotopic Mass | 306.023g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 93.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number