Cas no 863449-56-3 (BENZENEACETIC ACID, 2-(METHYLDITHIO)-)
863449-56-3 structure
Product Name:BENZENEACETIC ACID, 2-(METHYLDITHIO)-
CAS No:863449-56-3
MF:C9H10O2S2
MW:214.304500102997
CID:3369810
PubChem ID:86066610
Update Time:2025-04-21
BENZENEACETIC ACID, 2-(METHYLDITHIO)- Chemical and Physical Properties
Names and Identifiers
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- BENZENEACETIC ACID, 2-(METHYLDITHIO)-
- SCHEMBL3767920
- 975-315-8
- (2-methyl disulfanylphenyl)acetic acid
- 863449-56-3
- LOPXATAJONGTDM-UHFFFAOYSA-N
- 2-[2-(methyldisulfanyl)phenyl]acetic acid
- 2-(2-(methyldisulfanyl)phenyl)acetic acid
-
- Inchi： 1S/C9H10O2S2/c1-12-13-8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
- InChI Key： LOPXATAJONGTDM-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1CC(=O)O)SC
Computed Properties
- Exact Mass: 214.01222190Da
- Monoisotopic Mass: 214.01222190Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 173
- 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: 1.9
- Topological Polar Surface Area: 87.9?2
BENZENEACETIC ACID, 2-(METHYLDITHIO)- Related Literature
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1. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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