Cas no 22096-70-4 (Methyl 2-(4-chlorophenyl)sulfanylbenzoate)
22096-70-4 structure
Product Name:Methyl 2-(4-chlorophenyl)sulfanylbenzoate
CAS No:22096-70-4
MF:C14H11ClO2S
MW:278.753941774368
CID:912206
PubChem ID:283874
Update Time:2025-04-19
Methyl 2-(4-chlorophenyl)sulfanylbenzoate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 2-(4-chlorophenyl)sulfanylbenzoate
- 2-(4-chloro-phenylsulfanyl)-benzoic acid methyl ester
- 2-(4-Chlor-phenylmercapto)-benzoesaeure-methylester
- AC1L5ZLF
- AC1Q3RIL
- AG-J-47523
- AR-1J4599
- CTK4E8547
- methyl 2-[(4-chlorophenyl)sulfanyl]benzoate
- NSC139121
- DTXSID40300819
- DS-011397
- NSC-139121
- 22096-70-4
-
- Inchi： 1S/C14H11ClO2S/c1-17-14(16)12-4-2-3-5-13(12)18-11-8-6-10(15)7-9-11/h2-9H,1H3
- InChI Key： RPYZZUBXMXDNLA-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)SC1C=CC=CC=1C(=O)OC
Computed Properties
- Exact Mass: 278.01693
- Monoisotopic Mass: 278.0168285g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 277
- 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: 4.4
- Topological Polar Surface Area: 51.6?2
Experimental Properties
- PSA: 26.3
Methyl 2-(4-chlorophenyl)sulfanylbenzoate Related Literature
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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