Cas no 7512-53-0 (1-benzylsulfanyl-8-(2-hydroxyethylsulfanyl)anthracene-9,10-dione)
7512-53-0 structure
Product Name:1-benzylsulfanyl-8-(2-hydroxyethylsulfanyl)anthracene-9,10-dione
CAS No:7512-53-0
MF:C23H18O3S2
MW:406.517223834991
CID:981527
PubChem ID:344350
Update Time:2025-04-19
1-benzylsulfanyl-8-(2-hydroxyethylsulfanyl)anthracene-9,10-dione Chemical and Physical Properties
Names and Identifiers
-
- 1-benzylsulfanyl-8-(2-hydroxyethylsulfanyl)anthracene-9,10-dione
- AC1L80CT
- NSC401212
- NSC-401212
- DTXSID70322423
- 7512-53-0
-
- Inchi： 1S/C23H18O3S2/c24-12-13-27-18-10-4-8-16-20(18)23(26)21-17(22(16)25)9-5-11-19(21)28-14-15-6-2-1-3-7-15/h1-11,24H,12-14H2
- InChI Key： XCWDHNAHNWATLG-UHFFFAOYSA-N
- SMILES： S(CC1C=CC=CC=1)C1=CC=CC2C(C3C=CC=C(C=3C(C=21)=O)SCCO)=O
Computed Properties
- Exact Mass: 406.06984
- Monoisotopic Mass: 406.06973678g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 28
- Rotatable Bond Count: 6
- Complexity: 560
- 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: 4.7
- Topological Polar Surface Area: 105?2
Experimental Properties
- PSA: 54.37
- LogP: 4.83870
1-benzylsulfanyl-8-(2-hydroxyethylsulfanyl)anthracene-9,10-dione Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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