| CAS Number | 2031260-56-5 |
| Catalog Number | AG01B6B8 |
| Chemical Name | 3-(phenylsulfanyl)benzene-1-sulfonyl chloride |
| IUPAC Name | 3-phenylsulfanylbenzenesulfonyl chloride |
| InChI | InChI=1S/C12H9ClO2S2/c13-17(14,15)12-8-4-7-11(9-12)16-10-5-2-1-3-6-10/h1-9H |
| InChI Key | ZCNSERGYFHACLU-UHFFFAOYSA-N |
| MDL Number | MFCD30344894 |
| Molecular Formula | C12H9ClO2S2 |
| Molecular Weight | 284.7817 |
| SMILES | ClS(C1=CC(SC2=CC=CC=C2)=CC=C1)(=O)=O |
| Synonyms | 3-(phenylsulfanyl)benzene-1-sulfonyl chloride,
2031260-56-5,
ZINC521399170,
|
| Complexity | 331 |
| 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 | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.772g/mol |
| Monoisotopic Mass | 283.973g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number