Cas no 52578-55-9 (1,3-Benzenediol,5,5'-sulfinylbis- (9CI))
52578-55-9 structure
Product Name:1,3-Benzenediol,5,5'-sulfinylbis- (9CI)
CAS No:52578-55-9
MF:C12H10O5S
MW:266.269802570343
CID:377181
PubChem ID:104240
Update Time:2025-04-19
1,3-Benzenediol,5,5'-sulfinylbis- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenediol,5,5'-sulfinylbis- (9CI)
- 5-(3,5-dihydroxyphenyl)sulfinylbenzene-1,3-diol
- 5,5'-sulphinylbisresorcinol
- 5,5'-sulfinyldibenzene-1,3-diol
- NS00032534
- DTXSID00200548
- 52578-55-9
- 5,5'-Sulfinylbisresorcinol
- EINECS 258-017-6
- SCHEMBL5363872
-
- Inchi： 1S/C12H10O5S/c13-7-1-8(14)4-11(3-7)18(17)12-5-9(15)2-10(16)6-12/h1-6,13-16H
- InChI Key： QGUGHEPTGGWCBY-UHFFFAOYSA-N
- SMILES： S(C1C=C(C=C(C=1)O)O)(C1C=C(C=C(C=1)O)O)=O
Computed Properties
- Exact Mass: 266.0249
- Monoisotopic Mass: 266.025
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 263
- 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
- Surface Charge: 0
- Tautomer Count: 15
- XLogP3: 1.3
- Topological Polar Surface Area: 117?2
Experimental Properties
- Density: 1.78
- Boiling Point: 598.8°Cat760mmHg
- Flash Point: 315.9°C
- Refractive Index: 1.846
- PSA: 97.99
1,3-Benzenediol,5,5'-sulfinylbis- (9CI) Related Literature
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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