Cas no 41892-85-7 (Dimethyl 5-methyl-1-benzothiophene-2,3-dicarboxylate)
41892-85-7 structure
Product Name:Dimethyl 5-methyl-1-benzothiophene-2,3-dicarboxylate
CAS No:41892-85-7
MF:C13H12O4S
MW:264.296982765198
CID:2636319
PubChem ID:1238787
Update Time:2025-04-21
Dimethyl 5-methyl-1-benzothiophene-2,3-dicarboxylate Chemical and Physical Properties
Names and Identifiers
-
- dimethyl 5-methyl-1-benzothiophene-2,3-dicarboxylate
- HMS2348P16
- DTXSID70361271
- SMR000113839
- CHEMBL1868651
- DTXCID30312320
- 41892-85-7
- AE-473/33977011
- MLS000548060
- Dimethyl 5-methyl-1-benzothiophene-2,3-dicarboxylate
-
- Inchi： 1S/C13H12O4S/c1-7-4-5-9-8(6-7)10(12(14)16-2)11(18-9)13(15)17-3/h4-6H,1-3H3
- InChI Key： CFTGUODBPPXEFJ-UHFFFAOYSA-N
- SMILES： S1C(C(=O)OC)=C(C(=O)OC)C2C=C(C)C=CC1=2
Computed Properties
- Exact Mass: 264.04563003Da
- Monoisotopic Mass: 264.04563003Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 344
- 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: 3.3
- Topological Polar Surface Area: 80.8?2
Dimethyl 5-methyl-1-benzothiophene-2,3-dicarboxylate Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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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 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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