| CAS Number | 568550-95-8 |
| Catalog Number | AG00IA4V |
| Chemical Name | 1-[2-(4-Chloro-phenylsulfanyl)-phenyl]-pyrrole-2,5-dione |
| IUPAC Name | 1-[2-(4-chlorophenyl)sulfanylphenyl]pyrrole-2,5-dione |
| InChI | InChI=1S/C16H10ClNO2S/c17-11-5-7-12(8-6-11)21-14-4-2-1-3-13(14)18-15(19)9-10-16(18)20/h1-10H |
| InChI Key | ZPVQRBCEYPFUQE-UHFFFAOYSA-N |
| MDL Number | MFCD03965938 |
| Molecular Formula | C16H10ClNO2S |
| Molecular Weight | 315.7741 |
| SMILES | Clc1ccc(cc1)Sc1ccccc1N1C(=O)C=CC1=O |
| Synonyms | 568550-95-8,
1-{2-[(4-chlorophenyl)sulfanyl]phenyl}-2,5-dihydro-1H-pyrrole-2,5-dione,
1-[2-(4-Chloro-phenylsulfanyl)-phenyl]-pyrrole-2,5-dione,
AC1Q3JXN,
AC1M62HF,
CTK6H0977,
ZINC3273936,
MFCD03965938,
AKOS000116736,
MCULE-3625681066,
NE31825,
EN300-03899,
1-[2-(4-chlorophenyl)sulfanylphenyl]pyrrole-2,5-dione,
ZINC03273936,
CID2389940,
|
| Complexity | 428 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.771g/mol |
| Monoisotopic Mass | 315.012g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number