Cas no 40142-77-6 (1-[2-(Benzylsulfanyl)phenyl]ethan-1-one)
![1-[2-(Benzylsulfanyl)phenyl]ethan-1-one structure](https://ossimg.kuujia.com/scimg/40500/40142-77-6x500.png)
40142-77-6 structure
Product Name:1-[2-(Benzylsulfanyl)phenyl]ethan-1-one
CAS No:40142-77-6
MF:C15H14OS
MW:242.336062908173
CID:2631679
PubChem ID:12853233
Update Time:2025-04-21
1-[2-(Benzylsulfanyl)phenyl]ethan-1-one Chemical and Physical Properties
Names and Identifiers
-
- 1-(2-benzylsulfanylphenyl)ethanone
- AKOS000220020
- DTXSID50511510
- 40142-77-6
- SCHEMBL11724672
- 1-[2-(benzylsulfanyl)phenyl]ethan-1-one
- MGMVOBIFEUMWBE-UHFFFAOYSA-N
- 1-[(2-phenylmethylsulfanyl)phenyl]ethanone
- 1-[2-(Benzylsulfanyl)phenyl]ethan-1-one
-
- Inchi： 1S/C15H14OS/c1-12(16)14-9-5-6-10-15(14)17-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3
- InChI Key： MGMVOBIFEUMWBE-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1C(C)=O)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 242.07653624g/mol
- Monoisotopic Mass: 242.07653624g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 245
- 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: 3.6
- Topological Polar Surface Area: 42.4?2
1-[2-(Benzylsulfanyl)phenyl]ethan-1-one Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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