| Typical physical and chemical properties | |
|---|---|
| Catalog Number | ACM119802-1 |
| Product Name | 2,2'-Dithiodibenzoic acid |
| CAS | 119-80-2 |
| Structure |  |
| Synonyms | Bis(2-carboxyphenyl) disulfide |
| IUPAC Name | 2-[(2-Carboxyphenyl)disulfanyl]benzoic acid |
| Molecular Weight | 306.4 |
| Molecular Formula | C14H10O4S2 |
| Canonical SMILES | C1=CC=C(C(=C1)C(=O)O)SSC2=CC=CC=C2C(=O)O |
| InChI | InChI=1S/C14H10O4S2/c15-13(16)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(17)18/h1-8H,(H,15,16)(H,17,18) |
| InChIKey | LBEMXJWGHIEXRA-UHFFFAOYSA-N |
| Boiling Point | 416.97 °C |
| Melting Point | 287-290 °C |
| Purity | 96% |
| Density | 1.4555 g/cm3 |
| Complexity | 327 |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.00205114 |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Monoisotopic Mass | 306.00205114 |
| Physical State | Brown powder |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 125 Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| MSDS | Download MSDS |
| COA | Download COA |
| Spec Sheet | Download Spec Sheet |
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