| CAS Number | 827001-82-1 |
| Catalog Number | AG01E5E3(AGN-PC-0WP235) |
| Chemical Name | N-[[(6-Hydroxy-1-naphthalenyl)amino]thioxomethyl]-2-furancarboxamide |
| IUPAC Name | N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide |
| InChI | InChI=1S/C16H12N2O3S/c19-11-6-7-12-10(9-11)3-1-4-13(12)17-16(22)18-15(20)14-5-2-8-21-14/h1-9,19H,(H2,17,18,20,22) |
| InChI Key | WMUSJLJASFXGHN-UHFFFAOYSA-N |
| MDL Number | MFCD05832424 |
| Molecular Formula | C16H12N2O3S |
| Molecular Weight | 312.3431 |
| SMILES | N(C1=CC=CC2C=C(O)C=CC1=2)C(=S)NC(C1OC=CC=1)=O |
| Synonyms | 827001-82-1,
N-[[(6-Hydroxy-1-naphthalenyl)amino]thioxomethyl]-2-furancarboxamide,
N-(2-furoyl)-N'-(6-hydroxy-1-naphthyl)thiourea,
N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]furan-2-carboxamide,
MLS001034176,
CHEMBL1486754,
SCHEMBL15922420,
HMS2963I12,
ZINC5051027,
STK519701,
AKOS000468961,
MCULE-6437927334,
5J 4,
SMR000668989,
AP-970/43013194,
SR-01000289070,
SR-01000289070-1,
AC1MGXPG,
ZINC05051027,
CID2968289,
N-(2-Furoyl)-N/'-(6-hydroxy-1-naphthyl)thiourea,
|
| Complexity | 432 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 312.056863g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.3g/mol |
| Monoisotopic Mass | 312.056863g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 107Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number