Cas no 51762-65-3 (1,3-Benzenedicarboxylic acid, 2-[(4-carboxyphenyl)thio]-)
![1,3-Benzenedicarboxylic acid, 2-[(4-carboxyphenyl)thio]- structure](https://ossimg.kuujia.com/scimg/52000/51762-65-3x500.png)
51762-65-3 structure
Product Name:1,3-Benzenedicarboxylic acid, 2-[(4-carboxyphenyl)thio]-
CAS No:51762-65-3
MF:C15H10O6S
MW:318.301303386688
CID:361492
PubChem ID:20317774
Update Time:2025-04-19
1,3-Benzenedicarboxylic acid, 2-[(4-carboxyphenyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxylic acid, 2-[(4-carboxyphenyl)thio]-
- 2-(4-carboxyphenyl)sulfanylbenzene-1,3-dicarboxylic acid
- SCHEMBL11632802
- 2-[(4-Carboxyphenyl)sulfanyl]benzene-1,3-dicarboxylic acid
- DTXSID50605140
- 51762-65-3
-
- Inchi： 1S/C15H10O6S/c16-13(17)8-4-6-9(7-5-8)22-12-10(14(18)19)2-1-3-11(12)15(20)21/h1-7H,(H,16,17)(H,18,19)(H,20,21)
- InChI Key： NIHIQJLRWKJCSB-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C(=O)O)=CC=1)C1C(C(=O)O)=CC=CC=1C(=O)O
Computed Properties
- Exact Mass: 318.0198
- Monoisotopic Mass: 318.01980921g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 22
- Rotatable Bond Count: 5
- Complexity: 421
- 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: 2.6
- Topological Polar Surface Area: 137?2
Experimental Properties
- PSA: 111.9
1,3-Benzenedicarboxylic acid, 2-[(4-carboxyphenyl)thio]- Related Literature
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1. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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