Cas no 61174-77-4 (10H-Phenothiazine, 2-methyl-, 5,5-dioxide)
61174-77-4 structure
Product Name:10H-Phenothiazine, 2-methyl-, 5,5-dioxide
CAS No:61174-77-4
MF:C13H11NO2S
MW:245.296941995621
CID:489582
PubChem ID:71398600
Update Time:2025-04-19
10H-Phenothiazine, 2-methyl-, 5,5-dioxide Chemical and Physical Properties
Names and Identifiers
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- 10H-Phenothiazine, 2-methyl-, 5,5-dioxide
- 2-methyl-10H-phenothiazine 5,5-dioxide
- SCHEMBL15500319
- 2-Methyl-5lambda~6~-phenothiazine-5,5(10H)-dione
- DTXSID70820015
- 61174-77-4
-
- Inchi： 1S/C13H11NO2S/c1-9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)17(13,15)16/h2-8,14H,1H3
- InChI Key： GQLSPTBQHSZZFD-UHFFFAOYSA-N
- SMILES： S1(C2C=CC=CC=2NC2C=C(C)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, 2-methyl-, 5,5-dioxide Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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