Cas no 7461-86-1 (Benzoic acid,2-[(1-carboxyethyl)thio]-)
![Benzoic acid,2-[(1-carboxyethyl)thio]- structure](https://ossimg.kuujia.com/scimg/7500/7461-86-1x500.png)
7461-86-1 structure
Product Name:Benzoic acid,2-[(1-carboxyethyl)thio]-
CAS No:7461-86-1
MF:C10H10O4S
MW:226.249001979828
CID:579515
PubChem ID:346085
Update Time:2025-04-19
Benzoic acid,2-[(1-carboxyethyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2-[(1-carboxyethyl)thio]-
- 2-(1-carboxyethylsulfanyl)benzoic acid
- 2-(1-Carboxy-aethylmercapto)-benzoesaeure
- 2-(1-carboxy-ethylsulfanyl)-benzoic acid
- 2-(1-hydroxy-1-oxopropan-2-yl)sulfanylbenzoic acid
- 2-(2'-carboxyphenylthio)propanoic acid
- 2-< (2-carboxyphenyl)thio> propanoic acid
- AC1L8475
- LS-36370
- NSC404117
- SCHEMBL10745516
- NSC-404117
- AKOS009075798
- 7461-86-1
- 2-[(1-Carboxyethyl)sulfanyl]benzoic acid
- DTXSID90323497
-
- Inchi： 1S/C10H10O4S/c1-6(9(11)12)15-8-5-3-2-4-7(8)10(13)14/h2-6H,1H3,(H,11,12)(H,13,14)
- InChI Key： YTONAIFUSYIRFF-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1C(=O)O)C(C(=O)O)C
Computed Properties
- Exact Mass: 226.03
- Monoisotopic Mass: 226.02997997g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 254
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 99.9?2
Experimental Properties
- Density: 1.41
- Boiling Point: 419.5°Cat760mmHg
- Flash Point: 207.5°C
- Refractive Index: 1.627
- PSA: 74.6
- LogP: 1.95000
Benzoic acid,2-[(1-carboxyethyl)thio]- Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
7461-86-1 (Benzoic acid,2-[(1-carboxyethyl)thio]-) Related Products
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