Cas no 39022-42-9 ( )
structure
Product Name:
CAS No:39022-42-9
MF:C14H12Cl2O2S
MW:315.214880943298
CID:924154
PubChem ID:331680
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 1-chloro-4-(4-chloro-3-methylphenyl)sulfonyl-2-methylbenzene
- 14364P
- AC1L79KW
- NSC326138
- NSC-326138
- Oprea1_600368
- SureCN4362606
- T5315111
- 1,1'-Sulfonylbis(4-chloro-3-methylbenzene)
- Z57056465
- AKOS001092013
- SCHEMBL4362606
- 39022-42-9
- DTXSID00318096
-
-
- Inchi： 1S/C14H12Cl2O2S/c1-9-7-11(3-5-13(9)15)19(17,18)12-4-6-14(16)10(2)8-12/h3-8H,1-2H3
- InChI Key： VEZJPRMEUDKIIN-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1C)S(C1C=CC(=C(C)C=1)Cl)(=O)=O
Computed Properties
- Exact Mass: 313.99366
- Monoisotopic Mass: 313.9935062g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 372
- 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: 42.5?2
Experimental Properties
- PSA: 34.14
- LogP: 5.52380
Related Literature
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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5. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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