Cas no 61628-43-1 (1,3-Benzenedicarboxylic acid, 2-[(2-carboxyphenyl)thio]-)
![1,3-Benzenedicarboxylic acid, 2-[(2-carboxyphenyl)thio]- structure](https://ossimg.kuujia.com/scimg/62000/61628-43-1x500.png)
61628-43-1 structure
Product Name:1,3-Benzenedicarboxylic acid, 2-[(2-carboxyphenyl)thio]-
CAS No:61628-43-1
MF:C15H10O6S
MW:318.301303386688
CID:472206
PubChem ID:12449191
Update Time:2025-04-19
1,3-Benzenedicarboxylic acid, 2-[(2-carboxyphenyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxylic acid, 2-[(2-carboxyphenyl)thio]-
- 2-(2-carboxyphenyl)sulfanylbenzene-1,3-dicarboxylic acid
- 61628-43-1
- DTXSID90498750
- 2-[(2-Carboxyphenyl)sulfanyl]benzene-1,3-dicarboxylic acid
- SCHEMBL6037796
-
- Inchi： 1S/C15H10O6S/c16-13(17)8-4-1-2-7-11(8)22-12-9(14(18)19)5-3-6-10(12)15(20)21/h1-7H,(H,16,17)(H,18,19)(H,20,21)
- InChI Key： LJQAELSINGGMGH-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1C(=O)O)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: 429
- 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-[(2-carboxyphenyl)thio]- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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