Cas no 62268-17-1 (1,2-Benzenedicarboxylic acid, 3,5-dichloro-4-(methylthio)-)
62268-17-1 structure
Product Name:1,2-Benzenedicarboxylic acid, 3,5-dichloro-4-(methylthio)-
CAS No:62268-17-1
MF:C9H6Cl2O4S
MW:281.112539768219
CID:451729
PubChem ID:71388096
Update Time:2025-04-19
1,2-Benzenedicarboxylic acid, 3,5-dichloro-4-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarboxylic acid, 3,5-dichloro-4-(methylthio)-
- 3,5-dichloro-4-methylsulfanylphthalic acid
- 3,5-Dichloro-4-(methylsulfanyl)benzene-1,2-dicarboxylic acid
- DTXSID10810172
- 62268-17-1
-
- Inchi： 1S/C9H6Cl2O4S/c1-16-7-4(10)2-3(8(12)13)5(6(7)11)9(14)15/h2H,1H3,(H,12,13)(H,14,15)
- InChI Key： ZQUWHWBDFXVQTH-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=CC(C(=O)O)=C1C(=O)O)Cl)SC
Computed Properties
- Exact Mass: 279.93648
- Monoisotopic Mass: 279.9363852g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 299
- 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: 2.7
- Topological Polar Surface Area: 99.9?2
Experimental Properties
- PSA: 74.6
1,2-Benzenedicarboxylic acid, 3,5-dichloro-4-(methylthio)- Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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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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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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