Cas no 85726-15-4 (3-Hydroxy-2-phenyl-4H-1-benzopyran-4-thione)
85726-15-4 structure
Product Name:3-Hydroxy-2-phenyl-4H-1-benzopyran-4-thione
CAS No:85726-15-4
MF:C15H10O2S
MW:254.303702831268
CID:2808289
PubChem ID:71406280
Update Time:2025-04-21
3-Hydroxy-2-phenyl-4H-1-benzopyran-4-thione Chemical and Physical Properties
Names and Identifiers
-
- DTXSID70826890
- DTXCID30777632
- SCHEMBL26661232
- AKOS025397010
- 3-HYDROXY-2-PHENYLCHROMENE-4-THIONE
- thioflavonol
- 3-Hydroxy-2-phenyl-4H-1-benzopyran-4-thione
- 85726-15-4
-
- Inchi： 1S/C15H10O2S/c16-13-14(10-6-2-1-3-7-10)17-12-9-5-4-8-11(12)15(13)18/h1-9,16H
- InChI Key： AHJCTAYXMOPNNT-UHFFFAOYSA-N
- SMILES： S=C1C(=C(C2C=CC=CC=2)OC2C=CC=CC=21)O
Computed Properties
- Exact Mass: 254.04015073g/mol
- Monoisotopic Mass: 254.04015073g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 369
- 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
- Topological Polar Surface Area: 61.6?2
3-Hydroxy-2-phenyl-4H-1-benzopyran-4-thione Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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