1,1-dioxo-2-prop-2-enyl-1,2-benzothiazol-3-one

Modify Date: 2026-07-11 09:56:52

1,1-dioxo-2-prop-2-enyl-1,2-benzothiazol-3-one Structure
1,1-dioxo-2-prop-2-enyl-1,2-benzothiazol-3-one structure
Common Name 1,1-dioxo-2-prop-2-enyl-1,2-benzothiazol-3-one
CAS Number 41335-56-2 Molecular Weight 223.24800
Density 1.379g/cm3 Boiling Point 386.5ºC at 760 mmHg
Molecular Formula C10H9NO3S Melting Point N/A
MSDS N/A Flash Point 187.5ºC

 Names

Name 1,1-dioxo-2-prop-2-enyl-1,2-benzothiazol-3-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.379g/cm3
Boiling Point 386.5ºC at 760 mmHg
Molecular Formula C10H9NO3S
Molecular Weight 223.24800
Flash Point 187.5ºC
Exact Mass 223.03000
PSA 62.83000
LogP 2.03580
Index of Refraction 1.605
InChIKey PCEMJUSXPJQKDP-UHFFFAOYSA-N
SMILES C=CCN1C(=O)c2ccccc2S1(=O)=O

 Synthetic Route

~81%

1,1-dioxo-2-prop-2-enyl-1,2-benzothiazol-3-one Structure

1,1-dioxo-2-pro...

CAS#:41335-56-2

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Literature: Mabrour, Mahmoud; Bougrin, Khalid; Benhida, Rachid; Loupy, Andre; Soufiaoui, Mohamed Tetrahedron Letters, 2007 , vol. 48, # 3 p. 443 - 447

~55%

1,1-dioxo-2-prop-2-enyl-1,2-benzothiazol-3-one Structure

1,1-dioxo-2-pro...

CAS#:41335-56-2

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Literature: Wang, Xiaolong; Ma, Yanying; Ju, Tingting Journal of Chemical Research, 2013 , vol. 37, # 7 p. 417 - 419

~52%

1,1-dioxo-2-prop-2-enyl-1,2-benzothiazol-3-one Structure

1,1-dioxo-2-pro...

CAS#:41335-56-2

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Literature: Inoue, Yoshio; Taguchi, Masaaki; Toyofuku, Masanori; Hashimoto, Harukichi Bulletin of the Chemical Society of Japan, 1984 , vol. 57, # 10 p. 3021 - 3022

~%

1,1-dioxo-2-prop-2-enyl-1,2-benzothiazol-3-one Structure

1,1-dioxo-2-pro...

CAS#:41335-56-2

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Literature: Abe Yakugaku Zasshi, 1955 , vol. 75, p. 159,162 Chem.Abstr., 1956 , p. 1779 Full Text Show Details Rice; Pettit Journal of the American Chemical Society, 1943 , vol. 76, p. 302 Full Text View citing articles Show Details Hamor; Soine Journal of the American Pharmaceutical Association (1912-1977), 1954 , vol. 43, p. 120,122 Full Text Show Details Merritt; Levey; Cutter Journal of the American Chemical Society, 1939 , vol. 61, p. 15

~%

1,1-dioxo-2-prop-2-enyl-1,2-benzothiazol-3-one Structure

1,1-dioxo-2-pro...

CAS#:41335-56-2

Learn More
Literature: Abe Yakugaku Zasshi, 1955 , vol. 75, p. 159,162 Chem.Abstr., 1956 , p. 1779 Full Text Show Details Rice; Pettit Journal of the American Chemical Society, 1943 , vol. 76, p. 302 Full Text View citing articles Show Details Hamor; Soine Journal of the American Pharmaceutical Association (1912-1977), 1954 , vol. 43, p. 120,122 Full Text Show Details Merritt; Levey; Cutter Journal of the American Chemical Society, 1939 , vol. 61, p. 15

~%

1,1-dioxo-2-prop-2-enyl-1,2-benzothiazol-3-one Structure

1,1-dioxo-2-pro...

CAS#:41335-56-2

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Literature: Du Pont de Nemours and Co. Patent: US2462835 , 1943 ;

 Bioassay

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Name: Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay
Source: ChEMBL
Target: Carbonic anhydrase 12
External Id: CHEMBL3129538
Name: Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay
Source: ChEMBL
Target: Carbonic anhydrase 9
External Id: CHEMBL3129539
Name: Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay
Source: ChEMBL
Target: Carbonic anhydrase 1
External Id: CHEMBL3129540
Name: Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay
Source: ChEMBL
Target: Carbonic anhydrase 2
External Id: CHEMBL3129541
Total 4, Current Page 1 of 1
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 Synonyms

2-Allyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
N-allylsacchyrin
2-allyl-1H-1,2-benzisothiazole-1,1,3(2H)-trione
2-allyl-1,2-benzothiazol-3(2h)-one 1,1-dioxide
EINECS 255-322-6
N-allyl-saccharin
2-allylbenzo[d]isothiazol-3(2H)-one 1,1-dioxide
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