Cas no 137641-88-4 (1H-Indole, 3-(4-methoxybenzoyl)-2-methyl-1-(methylsulfonyl)-)
137641-88-4 structure
Product Name:1H-Indole, 3-(4-methoxybenzoyl)-2-methyl-1-(methylsulfonyl)-
CAS No:137641-88-4
MF:C18H17NO4S
MW:343.39688372612
CID:1245762
PubChem ID:10991518
Update Time:2025-04-20
1H-Indole, 3-(4-methoxybenzoyl)-2-methyl-1-(methylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole, 3-(4-methoxybenzoyl)-2-methyl-1-(methylsulfonyl)-
- 1-methylsulfonyl-2-methyl-3-(4-methoxybenzoyl)-1H-indole
- 137641-88-4
- 1h-indole,3-(4-methoxybenzoyl)-2-methyl-1-(methylsulfonyl)-
- SCHEMBL8530974
-
- Inchi： 1S/C18H17NO4S/c1-12-17(18(20)13-8-10-14(23-2)11-9-13)15-6-4-5-7-16(15)19(12)24(3,21)22/h4-11H,1-3H3
- InChI Key： KIUOWQSUQBYIBL-UHFFFAOYSA-N
- SMILES： S(C)(N1C(C)=C(C(C2C=CC(=CC=2)OC)=O)C2C=CC=CC1=2)(=O)=O
Computed Properties
- Exact Mass: 343.08791
- Monoisotopic Mass: 343.08782920g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 4
- Complexity: 562
- 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: 3.4
- Topological Polar Surface Area: 73.8?2
Experimental Properties
- PSA: 65.37
1H-Indole, 3-(4-methoxybenzoyl)-2-methyl-1-(methylsulfonyl)- Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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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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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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