Cas no 71965-10-1 (((2,3,4-Trichlorophenyl)thio)acetic acid)
71965-10-1 structure
Product Name:((2,3,4-Trichlorophenyl)thio)acetic acid
CAS No:71965-10-1
MF:C8H5Cl3O2S
MW:271.548098325729
CID:578162
PubChem ID:781524
Update Time:2025-04-19
((2,3,4-Trichlorophenyl)thio)acetic acid Chemical and Physical Properties
Names and Identifiers
-
- ((2,3,4-Trichlorophenyl)thio)acetic acid
- [(2,3,4-trichlorophenyl)thio]acetic acid
- 2-(2,3,4-trichlorophenyl)sulfanylacetic acid
- (2,3,4-Trichlor-phenylmercapto)-essigsaeure
- [(2,3,4-trichlorophenyl)sulfanyl]acetic acid
- EINECS 276-230-2
- NS00064225
- AB00084033-01
- 2-((2,3,4-Trichlorophenyl)thio)acetic acid
- Z56784676
- NCGC00332727-01
- AB00084033-04
- Cambridge id 5401805
- CS-0268672
- MFCD00044040
- 71965-10-1
- DTXSID60992659
- AKOS001036108
-
- Inchi： 1S/C8H5Cl3O2S/c9-4-1-2-5(8(11)7(4)10)14-3-6(12)13/h1-2H,3H2,(H,12,13)
- InChI Key： WYGFOYJKRHDDBG-UHFFFAOYSA-N
- SMILES： ClC1C(=C(C=CC=1SCC(=O)O)Cl)Cl
Computed Properties
- Exact Mass: 269.90800
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3.9
- Topological Polar Surface Area: 62.6?2
Experimental Properties
- PSA: 62.60000
- LogP: 3.82350
((2,3,4-Trichlorophenyl)thio)acetic acid Related Literature
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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