Cas no 827024-01-1 (1H-Pyrrole, 2-(2,2-dimethyl-1-oxopropyl)-1-[(4-methylphenyl)sulfonyl]-)
![1H-Pyrrole, 2-(2,2-dimethyl-1-oxopropyl)-1-[(4-methylphenyl)sulfonyl]- structure](https://ossimg.kuujia.com/scimg/827500/827024-01-1x500.png)
827024-01-1 structure
Product Name:1H-Pyrrole, 2-(2,2-dimethyl-1-oxopropyl)-1-[(4-methylphenyl)sulfonyl]-
CAS No:827024-01-1
MF:C16H19NO3S
MW:305.391963243485
CID:686525
PubChem ID:71417844
Update Time:2025-04-19
1H-Pyrrole, 2-(2,2-dimethyl-1-oxopropyl)-1-[(4-methylphenyl)sulfonyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole, 2-(2,2-dimethyl-1-oxopropyl)-1-[(4-methylphenyl)sulfonyl]-
- 2,2-dimethyl-1-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]propan-1-one
- 827024-01-1
- DTXSID80837174
- 2,2-Dimethyl-1-(1-tosyl-1H-pyrrol-2-yl)propan-1-one
- 2,2-Dimethyl-1-[1-(4-methylbenzene-1-sulfonyl)-1H-pyrrol-2-yl]propan-1-one
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- Inchi： 1S/C16H19NO3S/c1-12-7-9-13(10-8-12)21(19,20)17-11-5-6-14(17)15(18)16(2,3)4/h5-11H,1-4H3
- InChI Key： ABTOWUHEALSJPA-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(N1C=CC=C1C(C(C)(C)C)=O)(=O)=O
Computed Properties
- Exact Mass: 305.10856464g/mol
- Monoisotopic Mass: 305.10856464g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 479
- 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: 3.7
- Topological Polar Surface Area: 64.5?2
1H-Pyrrole, 2-(2,2-dimethyl-1-oxopropyl)-1-[(4-methylphenyl)sulfonyl]- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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3. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
827024-01-1 (1H-Pyrrole, 2-(2,2-dimethyl-1-oxopropyl)-1-[(4-methylphenyl)sulfonyl]-) Related Products
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