Cas no 506443-27-2 (9,10-Anthracenedione, 1,5-bis[(phenylmethyl)thio]-)
![9,10-Anthracenedione, 1,5-bis[(phenylmethyl)thio]- structure](https://ossimg.kuujia.com/scimg/506500/506443-27-2x500.png)
506443-27-2 structure
Product Name:9,10-Anthracenedione, 1,5-bis[(phenylmethyl)thio]-
CAS No:506443-27-2
MF:C28H20O2S2
MW:452.587204933167
CID:364415
PubChem ID:11026790
Update Time:2025-04-19
9,10-Anthracenedione, 1,5-bis[(phenylmethyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- 9,10-Anthracenedione, 1,5-bis[(phenylmethyl)thio]-
- 1,5-bis(benzylsulfanyl)anthracene-9,10-dione
- 506443-27-2
- CHEMBL112056
- 1,5-Bis(benzylthio)anthracene-9,10-dione
- DTXSID40452387
- SCHEMBL6366697
-
- Inchi： 1S/C28H20O2S2/c29-27-22-14-8-16-24(32-18-20-11-5-2-6-12-20)26(22)28(30)21-13-7-15-23(25(21)27)31-17-19-9-3-1-4-10-19/h1-16H,17-18H2
- InChI Key： COPUZQNXIHMMEQ-UHFFFAOYSA-N
- SMILES： S(CC1C=CC=CC=1)C1=CC=CC2C(C3C(=CC=CC=3C(C=21)=O)SCC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 452.0906
- Monoisotopic Mass: 452.09047222g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 32
- Rotatable Bond Count: 6
- Complexity: 596
- 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: 6.9
- Topological Polar Surface Area: 84.7?2
Experimental Properties
- PSA: 34.14
9,10-Anthracenedione, 1,5-bis[(phenylmethyl)thio]- Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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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
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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