Cas no 7499-98-1 (1,2-Benzisothiazol-3(2H)-one,2-heptyl-, 1,1-dioxide)
7499-98-1 structure
Product Name:1,2-Benzisothiazol-3(2H)-one,2-heptyl-, 1,1-dioxide
CAS No:7499-98-1
MF:C14H19NO3S
MW:281.370562791824
CID:577310
PubChem ID:343664
Update Time:2025-04-19
1,2-Benzisothiazol-3(2H)-one,2-heptyl-, 1,1-dioxide Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzisothiazol-3(2H)-one,2-heptyl-, 1,1-dioxide
- 2-heptyl-1,1-dioxo-1,2-benzothiazol-3-one
- 7499-98-1
- NSC400076
- 2-Heptyl-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione
- DTXSID10321955
- NSC-400076
-
- Inchi： 1S/C14H19NO3S/c1-2-3-4-5-8-11-15-14(16)12-9-6-7-10-13(12)19(15,17)18/h6-7,9-10H,2-5,8,11H2,1H3
- InChI Key： FYNVDOWAKPQORI-UHFFFAOYSA-N
- SMILES： S1(C2C=CC=CC=2C(N1CCCCCCC)=O)(=O)=O
Computed Properties
- Exact Mass: 281.10867
- Monoisotopic Mass: 281.109
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 6
- Complexity: 413
- 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: 3.5
- Topological Polar Surface Area: 62.8?2
Experimental Properties
- Density: 1.208
- Boiling Point: 425.9°Cat760mmHg
- Flash Point: 211.4°C
- Refractive Index: 1.553
- PSA: 54.45
1,2-Benzisothiazol-3(2H)-one,2-heptyl-, 1,1-dioxide Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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3. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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