Cas no 74134-16-0 (3-Acetylamino-9-oxo-9H-thioxanthene 10,10-dioxide)
74134-16-0 structure
Product Name:3-Acetylamino-9-oxo-9H-thioxanthene 10,10-dioxide
CAS No:74134-16-0
MF:C15H11NO4S
MW:301.317142724991
CID:571702
PubChem ID:131145
Update Time:2024-03-01
3-Acetylamino-9-oxo-9H-thioxanthene 10,10-dioxide Chemical and Physical Properties
Names and Identifiers
-
- Acetamide,N-(10,10-dioxido-9-oxo-9H-thioxanthen-3-yl)-
- BW 616U76
- BDBM50038942
- Acetamide, N-(9-oxo-9H-thioxanthen-3-yl)-, S,S-dioxide
- 3-Acetylamino-9-oxo-9H-thioxanthene 10,10-dioxide
-
- Inchi： 1S/C15H11NO4S/c1-9(17)16-10-6-7-12-14(8-10)21(19,20)13-5-3-2-4-11(13)15(12)18/h2-8H,1H3,(H,16,17)
- InChI Key： CPEJWUGAQDQTIT-UHFFFAOYSA-N
- SMILES： S1(C2C=CC=CC=2C(C2C=CC(=CC1=2)NC(C)=O)=O)(=O)=O
Computed Properties
- Exact Mass: 301.041
- Monoisotopic Mass: 301.041
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 1
- Complexity: 551
- 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: 2.4
- Topological Polar Surface Area: 88.7
Experimental Properties
- Density: 1.49
- Boiling Point: 627.4°C at 760 mmHg
- Flash Point: 333.2°C
- Refractive Index: 1.675
3-Acetylamino-9-oxo-9H-thioxanthene 10,10-dioxide Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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