| CAS Number | 1311317-46-0 |
| Catalog Number | AG01AINN |
| Chemical Name | 2-(3-chlorophenyl)-2-(thiophen-2-ylsulfanyl)acetic acid |
| IUPAC Name | 2-(3-chlorophenyl)-2-thiophen-2-ylsulfanylacetic acid |
| InChI | InChI=1S/C12H9ClO2S2/c13-9-4-1-3-8(7-9)11(12(14)15)17-10-5-2-6-16-10/h1-7,11H,(H,14,15) |
| InChI Key | XVWXADZFAGKNBC-UHFFFAOYSA-N |
| MDL Number | MFCD18917343 |
| Molecular Formula | C12H9ClO2S2 |
| Molecular Weight | 284.7817 |
| SMILES | OC(C(C1=CC(Cl)=CC=C1)SC1SC=CC=1)=O |
| Synonyms | 2-(3-chlorophenyl)-2-(thiophen-2-ylsulfanyl)acetic acid,
1311317-46-0,
AKOS033230238,
MCULE-7733318959,
NE54586,
EN300-78471,
Z1276446930,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.973g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.772g/mol |
| Monoisotopic Mass | 283.973g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 90.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number