1,5-Bis(o-carboxyphenylthio)anthraquinone
2-[5-(2-carboxyphenyl)sulfanyl-9,10-dioxoanthracen-1-yl]sulfanylbenzoic acid
Also Known As: 1,5-Bis(o-carboxyphenylthio)anthraquinone|EINECS 278-436-8|1,5-bis(2-carboxyphenylthio)anthraquinone|1,5-BIS(CARBOXYPHENYLTHIO)ANTHRAQUINONE|2,2'-((9,10-Dihydro-9,10-dioxo-1,5-anthrylene)bis(thio))bisbenzoicacid|2-[5-(2-carboxyphenyl)sulfanyl-9,10-dioxoanthracen-1-yl]sulfanylbenzoic acid|2,2'-[(9,10-dihydro-9,10-dioxo-1,5-anthrylene)bis(thio)]bisbenzoic acid|2,2 -[(9,10-Dihydro-9,10-dioxoanthracene-1,5-diyl)bisthio]bisbenzoic acid|2,2 -[[(9,10-Dihydro-9,10-dioxoanthracene)-1,5-diyl]bis(thio)]bisbenzoic acid|2,2'-[(9,10-Dioxo-9,10-dihydroanthracene-1,5-diyl)bis(sulfanediyl)]dibenzoic acid|BENZOIC ACID, 2,2'-((9,10-DIHYDRO-9,10-DIOXO-1,5-ANTHRACENEDIYL)BIS(THIO))BIS-|2-({5-[(2-CARBOXYPHENYL)SULFANYL]-9,10-DIOXO-9,10-DIHYDROANTHRACEN-1-YL}SULFANYL)BENZOIC ACID
| Molecular Formula | C28H16O6S2 |
|---|---|
| Molecular Weight | 512.0388 g/mol |
| LogP | 6.1608 |
| Topological Polar Surface Area | 108.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 512.0388 |
| Monoisotopic Mass | 512.0388 |
| Heavy Atoms | 36 |
| Complexity | 1471.9788 |
Chemical Identifiers
| CAS Number | 76404-13-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)SC5=CC=CC=C5C(=O)O |
Product Overview
1,5-Bis(o-carboxyphenylthio)anthraquinone (CAS 76404-13-2), with molecular formula C28H16O6S2 and molecular weight 512.0388 g/mol. IUPAC: 2-[5-(2-carboxyphenyl)sulfanyl-9,10-dioxoanthracen-1-yl]sulfanylbenzoic acid.