Cas no 61174-78-5 (10H-Phenothiazine, 3-methyl-, 5,5-dioxide)
61174-78-5 structure
Product Name:10H-Phenothiazine, 3-methyl-, 5,5-dioxide
CAS No:61174-78-5
MF:C13H11NO2S
MW:245.296941995621
CID:489581
PubChem ID:71398599
Update Time:2025-04-19
10H-Phenothiazine, 3-methyl-, 5,5-dioxide Chemical and Physical Properties
Names and Identifiers
-
- 10H-Phenothiazine, 3-methyl-, 5,5-dioxide
- 3-methyl-10H-phenothiazine 5,5-dioxide
- 3-Methyl-5lambda~6~-phenothiazine-5,5(10H)-dione
- DTXSID10820014
- 61174-78-5
-
- Inchi： 1S/C13H11NO2S/c1-9-6-7-11-13(8-9)17(15,16)12-5-3-2-4-10(12)14-11/h2-8,14H,1H3
- InChI Key： DJPMZHCXDGAHAE-UHFFFAOYSA-N
- SMILES： S1(C2C=CC=CC=2NC2C=CC(C)=CC1=2)(=O)=O
Computed Properties
- Exact Mass: 245.05113
- Monoisotopic Mass: 245.05104977g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 387
- 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: 54.6?2
Experimental Properties
- PSA: 46.17
10H-Phenothiazine, 3-methyl-, 5,5-dioxide 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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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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