Cas no 41335-56-2 (2-allyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide)
41335-56-2 structure
Product Name:2-allyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
CAS No:41335-56-2
MF:C10H9NO3S
MW:223.248361349106
CID:926865
PubChem ID:95840
Update Time:2025-04-19
2-allyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide Chemical and Physical Properties
Names and Identifiers
-
- 2-allyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
- 1,1-dioxo-2-prop-2-enyl-1,2-benzothiazol-3-one
- SCHEMBL9327655
- 24Z9TR39CM
- PCEMJUSXPJQKDP-UHFFFAOYSA-N
- EINECS 255-322-6
- AKOS000663185
- 2-(Prop-2-enyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
- CHEMBL3125561
- NSC39122
- n-allylsaccharin
- NS00030966
- NSC-39122
- 1,2-Benzisothiazol-3(2H)-one, 2-(2-propenyl)-, 1,1-dioxide
- NSC 39122
- AI3-04135
- 2-allylbenzo[d]isothiazol-3(2H)-one 1,1-dioxide
- 41335-56-2
- BDBM50496464
- DTXSID20194298
- 1,2-Benzisothiazol-3(2H)-one, 2-(2-propen-1-yl)-, 1,1-dioxide
-
- Inchi： 1S/C10H9NO3S/c1-2-7-11-10(12)8-5-3-4-6-9(8)15(11,13)14/h2-6H,1,7H2
- InChI Key： PCEMJUSXPJQKDP-UHFFFAOYSA-N
- SMILES： S1(C2C=CC=CC=2C(N1CC=C)=O)(=O)=O
Computed Properties
- Exact Mass: 223.03031432g/mol
- Monoisotopic Mass: 223.03031432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 382
- 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: 1.2
- Topological Polar Surface Area: 62.8?2
2-allyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
41335-56-2 (2-allyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide) Related Products
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