Cas no 18339-14-5 (1,2-Benzisothiazol-3(2H)-one,2-[3-(dimethylamino)propyl]-)
![1,2-Benzisothiazol-3(2H)-one,2-[3-(dimethylamino)propyl]- structure](https://ossimg.kuujia.com/scimg/18500/18339-14-5x500.png)
18339-14-5 structure
Product Name:1,2-Benzisothiazol-3(2H)-one,2-[3-(dimethylamino)propyl]-
CAS No:18339-14-5
MF:C12H16N2OS
MW:236.333241462708
CID:221790
PubChem ID:87588
Update Time:2025-04-19
1,2-Benzisothiazol-3(2H)-one,2-[3-(dimethylamino)propyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzisothiazol-3(2H)-one,2-[3-(dimethylamino)propyl]-
- 2-[3-(dimethylamino)propyl]-1,2-benzisothiazol-3(2H)-one
- 2-[3-(dimethylamino)propyl]-1,2-benzothiazol-3-one
- 2-(3-(Dimethylamino)propyl)-1,2-benzisothiazol-3(2H)-one
- 2-[3-(dimethylamino)propyl]-1,2-benzothiazol-3(2H)-one
- Einecs 242-219-6
- NS00026034
- JP7G58LX4U
- DTXSID30171419
- 18339-14-5
- 1,2-Benzisothiazol-3(2H)-one, 2-[3-(dimethylamino)propyl]-
-
- Inchi： 1S/C12H16N2OS/c1-13(2)8-5-9-14-12(15)10-6-3-4-7-11(10)16-14/h3-4,6-7H,5,8-9H2,1-2H3
- InChI Key： OGWXHSCYJOUWCU-UHFFFAOYSA-N
- SMILES： S1C2C=CC=CC=2C(N1CCCN(C)C)=O
Computed Properties
- Exact Mass: 236.09848
- Monoisotopic Mass: 236.098334
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 257
- 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: 48.8
- XLogP3: 1.9
Experimental Properties
- Density: 1.182
- Boiling Point: 365.5°C at 760 mmHg
- Flash Point: 174.8°C
- Refractive Index: 1.595
- PSA: 23.55
1,2-Benzisothiazol-3(2H)-one,2-[3-(dimethylamino)propyl]- Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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