Cas no 7469-15-0 (1,2-Benzisothiazol-3(2H)-one,2-hexadecyl-, 1,1-dioxide)
7469-15-0 structure
Product Name:1,2-Benzisothiazol-3(2H)-one,2-hexadecyl-, 1,1-dioxide
CAS No:7469-15-0
MF:C23H37NO3S
MW:407.609785795212
CID:575020
PubChem ID:344417
Update Time:2025-04-19
1,2-Benzisothiazol-3(2H)-one,2-hexadecyl-, 1,1-dioxide Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzisothiazol-3(2H)-one,2-hexadecyl-, 1,1-dioxide
- 2-hexadecyl-1,1-dioxo-1,2-benzothiazol-3-one
- AC1L80I2
- NSC401310
- 7469-15-0
- DTXSID10322467
- NSC-401310
-
- Inchi： 1S/C23H37NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-24-23(25)21-18-15-16-19-22(21)28(24,26)27/h15-16,18-19H,2-14,17,20H2,1H3
- InChI Key： IVUHEOQWIKHGGV-UHFFFAOYSA-N
- SMILES： S1(C2C=CC=CC=2C(N1CCCCCCCCCCCCCCCC)=O)(=O)=O
Computed Properties
- Exact Mass: 407.24961
- Monoisotopic Mass: 407.249
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 28
- Rotatable Bond Count: 15
- Complexity: 541
- 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: 8.3
- Topological Polar Surface Area: 62.8?2
Experimental Properties
- Density: 1.068
- Boiling Point: 530.3°C at 760 mmHg
- Flash Point: 274.5°C
- Refractive Index: 1.521
- PSA: 54.45
- LogP: 7.33110
1,2-Benzisothiazol-3(2H)-one,2-hexadecyl-, 1,1-dioxide Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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