Cas no 17413-74-0 (2-[(4-chlorophenyl)sulfanyl]-2-methylpropanoic acid)
![2-[(4-chlorophenyl)sulfanyl]-2-methylpropanoic acid structure](https://ossimg.kuujia.com/scimg/17500/17413-74-0x500.png)
17413-74-0 structure
Product Name:2-[(4-chlorophenyl)sulfanyl]-2-methylpropanoic acid
CAS No:17413-74-0
MF:C10H11ClO2S
MW:230.711140871048
CID:1359106
PubChem ID:28530
Update Time:2025-04-20
2-[(4-chlorophenyl)sulfanyl]-2-methylpropanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-[(4-chlorophenyl)sulfanyl]-2-methylpropanoic acid
- 2-(4-chlorophenyl)sulfanyl-2-methylpropanoic acid
- 2-[(4-Chlorophenyl)thio]-2-methylpropionic acid
- SCHEMBL4398676
- DTXSID60169768
- p-chlorophenylmercaptoisobutyric acid
- alpha-(p-Chlorophenylthio)isobutyric acid
- ISOBUTYRIC ACID, alpha-(p-CHLOROPHENYLTHIO)-
- BRN 1874068
- 4-06-00-01604 (Beilstein Handbook Reference)
- AKOS010599562
- 17413-74-0
- Acetic acid, (p-chlorophenylthio)dimethyl-
-
- Inchi： 1S/C10H11ClO2S/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)
- InChI Key： GUOJPBXXOMDAGO-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)SC(C(=O)O)(C)C
Computed Properties
- Exact Mass: 230.01693
- Monoisotopic Mass: 230.0168285g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 210
- 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: 3.2
- Topological Polar Surface Area: 62.6?2
Experimental Properties
- PSA: 37.3
2-[(4-chlorophenyl)sulfanyl]-2-methylpropanoic acid Related Literature
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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
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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