Cas no 99585-36-1 (9H-Thioxanthen-9-one, 3-chloro-, 10,10-dioxide)
99585-36-1 structure
Product Name:9H-Thioxanthen-9-one, 3-chloro-, 10,10-dioxide
CAS No:99585-36-1
MF:C13H7ClO3S
MW:278.710881471634
CID:750163
PubChem ID:16037507
Update Time:2025-04-19
9H-Thioxanthen-9-one, 3-chloro-, 10,10-dioxide Chemical and Physical Properties
Names and Identifiers
-
- 9H-Thioxanthen-9-one, 3-chloro-, 10,10-dioxide
- 3-chloro-10,10-dioxothioxanthen-9-one
- 99585-36-1
- SCHEMBL5800591
- 3-Chloro-10lambda~6~-thioxanthene-9,10,10-trione
- DTXSID30581256
-
- Inchi： 1S/C13H7ClO3S/c14-8-5-6-10-12(7-8)18(16,17)11-4-2-1-3-9(11)13(10)15/h1-7H
- InChI Key： JPNWIGNOBSFCFR-UHFFFAOYSA-N
- SMILES： ClC1C=CC2C(C3C=CC=CC=3S(C=2C=1)(=O)=O)=O
Computed Properties
- Exact Mass: 277.9804429g/mol
- Monoisotopic Mass: 277.9804429g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 453
- 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: 3.8
- Topological Polar Surface Area: 59.6?2
9H-Thioxanthen-9-one, 3-chloro-, 10,10-dioxide Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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