Cas no 52578-56-0 (1,3-Benzenediol,5,5'-thiobis-)
1,3-Benzenediol,5,5'-thiobis- structure
Product Name:1,3-Benzenediol,5,5'-thiobis-
CAS No:52578-56-0
MF:C12H10O4S
MW:250.270402431488
CID:376898
PubChem ID:3040604
Update Time:2025-04-19
1,3-Benzenediol,5,5'-thiobis- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenediol,5,5'-thiobis-
- 5-(3,5-dihydroxyphenyl)sulfanylbenzene-1,3-diol
- DIRESORCYLSULPHIDE
- DTXSID60200549
- 52578-56-0
- SCHEMBL8936297
- Sulfide, bis(dihydroxyphenyl)
-
- Inchi： 1S/C12H10O4S/c13-7-1-8(14)4-11(3-7)17-12-5-9(15)2-10(16)6-12/h1-6,13-16H
- InChI Key： SQOKGOOYYFKAJJ-UHFFFAOYSA-N
- SMILES： S(C1C=C(C=C(C=1)O)O)C1C=C(C=C(C=1)O)O
Computed Properties
- Exact Mass: 250.03
- Monoisotopic Mass: 250.03
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 207
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 106?2
Experimental Properties
- Density: 1.2618 (rough estimate)
- Boiling Point: 328.96°C (rough estimate)
- Flash Point: 255.8°C
- Refractive Index: 1.5200 (estimate)
- PSA: 80.92
1,3-Benzenediol,5,5'-thiobis- Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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