Cas no 21248-54-4 ([(2,4,5-trichlorophenyl)sulfanyl]acetic acid)
![[(2,4,5-trichlorophenyl)sulfanyl]acetic acid structure](https://ossimg.kuujia.com/scimg/21500/21248-54-4x500.png)
21248-54-4 structure
Product Name:[(2,4,5-trichlorophenyl)sulfanyl]acetic acid
CAS No:21248-54-4
MF:C8H5Cl3O2S
MW:271.548098325729
CID:911365
PubChem ID:303740
Update Time:2025-04-19
[(2,4,5-trichlorophenyl)sulfanyl]acetic acid Chemical and Physical Properties
Names and Identifiers
-
- [(2,4,5-trichlorophenyl)sulfanyl]acetic acid
- (2,4,5-trichloro-phenylsulfanyl)-acetic acid
- (2,4,5-Trichlor-phenylmercapto)-essigsaeure
- 2,4,5-Trichlor-phenylmercapto-essigsaeure
- AC1L73E9
- CHEMBL177042
- CTK1A6367
- NSC193383
- SureCN5506194
- SCHEMBL5506194
- NSC-193383
- MQXOLRONMGGENN-UHFFFAOYSA-N
- DTXSID80307605
- 21248-54-4
-
- Inchi： 1S/C8H5Cl3O2S/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13)
- InChI Key： MQXOLRONMGGENN-UHFFFAOYSA-N
- SMILES： ClC1C=C(C(=CC=1SCC(=O)O)Cl)Cl
Computed Properties
- Exact Mass: 269.90775
- Monoisotopic Mass: 269.907584g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 215
- 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: 3.9
- Topological Polar Surface Area: 62.6?2
Experimental Properties
- PSA: 37.3
[(2,4,5-trichlorophenyl)sulfanyl]acetic acid Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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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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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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