Cas no 69270-16-2 (1,3-Benzenedicarboxylicacid, 2-[(4-chlorophenyl)thio]-)
![1,3-Benzenedicarboxylicacid, 2-[(4-chlorophenyl)thio]- structure](https://ossimg.kuujia.com/scimg/69500/69270-16-2x500.png)
69270-16-2 structure
Product Name:1,3-Benzenedicarboxylicacid, 2-[(4-chlorophenyl)thio]-
CAS No:69270-16-2
MF:C14H9ClO4S
MW:308.736861944199
CID:520015
PubChem ID:320098
Update Time:2025-04-19
1,3-Benzenedicarboxylicacid, 2-[(4-chlorophenyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxylicacid, 2-[(4-chlorophenyl)thio]-
- 2-(4-chlorophenyl)sulfanylbenzene-1,3-dicarboxylic acid
- AC1L81KH
- CTK2F8030
- NSC266278
- NSC-266278
- 2-[(4-Chlorophenyl)sulfanyl]benzene-1,3-dicarboxylic acid
- 69270-16-2
- DTXSID10313118
-
- Inchi： 1S/C14H9ClO4S/c15-8-4-6-9(7-5-8)20-12-10(13(16)17)2-1-3-11(12)14(18)19/h1-7H,(H,16,17)(H,18,19)
- InChI Key： SPUAXTLAMMOBDG-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)SC1C(C(=O)O)=CC=CC=1C(=O)O
Computed Properties
- Exact Mass: 307.99107
- Monoisotopic Mass: 307.991
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 346
- 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: 99.9?2
Experimental Properties
- Density: 1.57
- Boiling Point: 495.8°C at 760 mmHg
- Flash Point: 253.6°C
- Refractive Index: 1.711
- PSA: 74.6
- LogP: 3.88760
1,3-Benzenedicarboxylicacid, 2-[(4-chlorophenyl)thio]- Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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