Cas no 97404-16-5 (9H-Thioxanthene-3-carbonylchloride, 9-oxo-, 10,10-dioxide)
97404-16-5 structure
Product Name:9H-Thioxanthene-3-carbonylchloride, 9-oxo-, 10,10-dioxide
CAS No:97404-16-5
MF:C14H7ClO4S
MW:306.720981836319
CID:812928
PubChem ID:58960431
Update Time:2025-04-19
9H-Thioxanthene-3-carbonylchloride, 9-oxo-, 10,10-dioxide Chemical and Physical Properties
Names and Identifiers
-
- 9H-Thioxanthene-3-carbonylchloride, 9-oxo-, 10,10-dioxide
- 9,10,10-trioxothioxanthene-3-carbonyl chloride
- SCHEMBL3386406
- 97404-16-5
- UNII-A2DT9V5X3R
- DTXSID60242949
- A2DT9V5X3R
- EINECS 306-779-6
- Chloride 9-oxo-9H-thioxanthene-3-carbonyl 10,10-dioxide
- 9H-THIOXANTHENE-3-CARBONYL CHLORIDE, 9-OXO-, 10,10-DIOXIDE
-
- Inchi： 1S/C14H7ClO4S/c15-14(17)8-5-6-10-12(7-8)20(18,19)11-4-2-1-3-9(11)13(10)16/h1-7H
- InChI Key： FSGCGIQIMWKLGJ-UHFFFAOYSA-N
- SMILES： ClC(C1C=CC2C(C3C=CC=CC=3S(C=2C=1)(=O)=O)=O)=O
Computed Properties
- Exact Mass: 305.9753576g/mol
- Monoisotopic Mass: 305.9753576g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 1
- Complexity: 536
- 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: 3.7
- Topological Polar Surface Area: 76.7?2
9H-Thioxanthene-3-carbonylchloride, 9-oxo-, 10,10-dioxide Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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