Cas no 63042-53-5 ( )
structure
Product Name:
CAS No:63042-53-5
MF:C17H13NS
MW:263.356822729111
CID:958601
PubChem ID:237063
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 10-methyl-12H-benzo[a]phenothiazine
- 10-methyl-12H-benzophenothiazine
- NSC40276
- 63042-53-5
- DTXSID40285036
- NSC-40276
- 12H-Benzo[a]phenothiazine, 10-methyl-
-
-
- Inchi： 1S/C17H13NS/c1-11-6-8-15-14(10-11)18-17-13-5-3-2-4-12(13)7-9-16(17)19-15/h2-10,18H,1H3
- InChI Key： UJNVUBBFCMOTTA-UHFFFAOYSA-N
- SMILES： S1C2C=CC(C)=CC=2NC2C1=CC=C1C=CC=CC=21
Computed Properties
- Exact Mass: 263.07700
- Monoisotopic Mass: 263.077
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 0
- Complexity: 331
- 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: 5.2
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 1.242
- Boiling Point: 474.7°C at 760 mmHg
- Flash Point: 240.9°C
- Refractive Index: 1.715
- PSA: 37.33000
- LogP: 5.49440
Related Literature
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
5. 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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