Cas no 7512-56-3 (1,2-Benzisothiazol-3(2H)-one,2-octadecyl-, 1,1-dioxide)
7512-56-3 structure
Product Name:1,2-Benzisothiazol-3(2H)-one,2-octadecyl-, 1,1-dioxide
CAS No:7512-56-3
MF:C25H41NO3S
MW:435.662946462631
CID:575918
PubChem ID:344418
Update Time:2025-04-19
1,2-Benzisothiazol-3(2H)-one,2-octadecyl-, 1,1-dioxide Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzisothiazol-3(2H)-one,2-octadecyl-, 1,1-dioxide
- 2-octadecyl-1,1-dioxo-1,2-benzothiazol-3-one
- AC1L80I5
- NSC401311
- 7512-56-3
- NSC-401311
- 2-Octadecyl-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione
- DTXSID70322468
-
- Inchi： 1S/C25H41NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-26-25(27)23-20-17-18-21-24(23)30(26,28)29/h17-18,20-21H,2-16,19,22H2,1H3
- InChI Key： DTQIRIKXBCJTQZ-UHFFFAOYSA-N
- SMILES： S1(C2C=CC=CC=2C(N1CCCCCCCCCCCCCCCCCC)=O)(=O)=O
Computed Properties
- Exact Mass: 435.28093
- Monoisotopic Mass: 435.281
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 30
- Rotatable Bond Count: 17
- Complexity: 569
- 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: 9.4
- Topological Polar Surface Area: 62.8?2
Experimental Properties
- Density: 1.051
- Boiling Point: 552.7°C at 760 mmHg
- Flash Point: 288°C
- Refractive Index: 1.517
- PSA: 54.45
- LogP: 8.11130
1,2-Benzisothiazol-3(2H)-one,2-octadecyl-, 1,1-dioxide Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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4. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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