Cas no 97188-23-3 (1H-Pyrrole, 3-ethyl-1-(phenylsulfonyl)-)
97188-23-3 structure
Product Name:1H-Pyrrole, 3-ethyl-1-(phenylsulfonyl)-
CAS No:97188-23-3
MF:C12H13NO2S
MW:235.30212187767
CID:751156
PubChem ID:13442882
Update Time:2025-04-19
1H-Pyrrole, 3-ethyl-1-(phenylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole, 3-ethyl-1-(phenylsulfonyl)-
- 1-(benzenesulfonyl)-3-ethylpyrrole
- DTXSID60540977
- 3-Ethyl-1-(phenylsulfonyl)-1H-pyrrole
- SCHEMBL10467679
- 1-(Benzenesulfonyl)-3-ethyl-1H-pyrrole
- 97188-23-3
-
- Inchi： 1S/C12H13NO2S/c1-2-11-8-9-13(10-11)16(14,15)12-6-4-3-5-7-12/h3-10H,2H2,1H3
- InChI Key： KOPAUENYKMEFPL-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)(N1C=CC(CC)=C1)(=O)=O
Computed Properties
- Exact Mass: 235.06669983g/mol
- Monoisotopic Mass: 235.06669983g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 314
- 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: 2.7
- Topological Polar Surface Area: 47.4?2
1H-Pyrrole, 3-ethyl-1-(phenylsulfonyl)- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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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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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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