Cas no 112393-82-5 (2-(3-methoxyphenyl)thiomorpholin-3-one)
112393-82-5 structure
Product Name:2-(3-methoxyphenyl)thiomorpholin-3-one
CAS No:112393-82-5
MF:C11H13NO2S
MW:223.29142165184
CID:2608692
PubChem ID:14169391
Update Time:2025-04-21
2-(3-methoxyphenyl)thiomorpholin-3-one Chemical and Physical Properties
Names and Identifiers
-
- 2-(3-methoxyphenyl)thiomorpholin-3-one
- FBRXKRNWZBZCIC-UHFFFAOYSA-N
- 112393-82-5
- SCHEMBL16970823
- DTXSID90556849
-
- Inchi： 1S/C11H13NO2S/c1-14-9-4-2-3-8(7-9)10-11(13)12-5-6-15-10/h2-4,7,10H,5-6H2,1H3,(H,12,13)
- InChI Key： FBRXKRNWZBZCIC-UHFFFAOYSA-N
- SMILES： S1CCNC(C1C1C=CC=C(C=1)OC)=O
Computed Properties
- Exact Mass: 223.06669983Da
- Monoisotopic Mass: 223.06669983Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 235
- 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: 1.7
- Topological Polar Surface Area: 63.6?2
2-(3-methoxyphenyl)thiomorpholin-3-one Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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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
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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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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