Cas no 18587-32-1 (12h-Benzo[b]phenothiazine 5,5-dioxide)
18587-32-1 structure
Product Name:12h-Benzo[b]phenothiazine 5,5-dioxide
CAS No:18587-32-1
MF:C16H11NO2S
MW:281.329042673111
CID:883872
Update Time:2023-08-03
12h-Benzo[b]phenothiazine 5,5-dioxide Chemical and Physical Properties
Names and Identifiers
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- 12H-Benzo[b]phenoxazin; 12H-Benzo< b> phenoxazin; Benzo< b> phenoxazin; benzo< b> phenoxazine; 12H-Benz< f> isoindolo< 2,1-a> benzimidazol; AC1Q70O7; MLS002703855; Oprea1_478121; SureCN302837; 12H-benzo[f]benzo[4,5]imidazo[2,1-a]isoindole; AC1L6H5Q; 12H-Benzo[f]benz[4,5]imidazo[2,1-a]isoindol; 12H-benzo[f]benz[4,5]imidazo[2,1-a]isoindole; 12H-Benzo< b> phenothiazin-5-dioxid; CTK1A3891; benzo[b]phenoxa
- 12h-benzo[b]phenothiazine 5,5-dioxide
- NSC116485
- 12h-Benzo[b]phenothiazine 5,5-dioxide
-
- Inchi: 1S/C16H11NO2S/c18-20(19)15-8-4-3-7-13(15)17-14-9-11-5-1-2-6-12(11)10-16(14)20/h1-10,17H
- InChI Key: LZPODVMZBAPLAL-UHFFFAOYSA-N
- SMILES: S1(C2C=CC=CC=2NC2C=C3C=CC=CC3=CC1=2)(=O)=O
Computed Properties
- Exact Mass: 281.05100
- Monoisotopic Mass: 281.051
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 0
- Complexity: 469
- 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
- Topological Polar Surface Area: 54.6
Experimental Properties
- Density: 1.387
- Boiling Point: 542.9°C at 760 mmHg
- Flash Point: 282.1°C
- Refractive Index: 1.712
- PSA: 54.55000
- LogP: 4.94840
12h-Benzo[b]phenothiazine 5,5-dioxide Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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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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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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