2-butyl-1,1-dioxo-1,2-benzothiazol-3-one

Modify Date: 2026-07-18 09:18:16

2-butyl-1,1-dioxo-1,2-benzothiazol-3-one Structure
2-butyl-1,1-dioxo-1,2-benzothiazol-3-one structure
Common Name 2-butyl-1,1-dioxo-1,2-benzothiazol-3-one
CAS Number 7499-96-9 Molecular Weight 239.291
Density 1.3±0.1 g/cm3 Boiling Point 392.6±25.0 °C at 760 mmHg
Molecular Formula C11H13NO3S Melting Point N/A
MSDS N/A Flash Point 191.2±23.2 °C

 Names

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

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 392.6±25.0 °C at 760 mmHg
Molecular Formula C11H13NO3S
Molecular Weight 239.291
Flash Point 191.2±23.2 °C
Exact Mass 239.061615
PSA 62.83000
LogP 1.81
Vapour Pressure 0.0±0.9 mmHg at 25°C
Index of Refraction 1.576
InChIKey OVHVVWXDKDMZQA-UHFFFAOYSA-N
SMILES CCCCN1C(=O)c2ccccc2S1(=O)=O

 Synthetic Route

~44%

2-butyl-1,1-dioxo-1,2-benzothiazol-3-one Structure

2-butyl-1,1-dio...

CAS#:7499-96-9

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

~65%

2-butyl-1,1-dioxo-1,2-benzothiazol-3-one Structure

2-butyl-1,1-dio...

CAS#:7499-96-9

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Literature: Chapman Jr.; Cocolas; Hall Journal of Medicinal Chemistry, 1983 , vol. 26, # 2 p. 243 - 246

~63%

2-butyl-1,1-dioxo-1,2-benzothiazol-3-one Structure

2-butyl-1,1-dio...

CAS#:7499-96-9

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Literature: Chen, Jiayan; Dang, Ling; Li, Qiang; Ye, Yong; Fu, Shaomin; Zeng, Wei Synlett, 2012 , # 4 p. 595 - 600

~80%

2-butyl-1,1-dioxo-1,2-benzothiazol-3-one Structure

2-butyl-1,1-dio...

CAS#:7499-96-9

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Literature: Kim, Sung-Kyu; Moon, Jung-Gyen; Lee, Sang-Gyeong; Choi, Sam-Young; Cho, Su-Dong; et al. Journal of Heterocyclic Chemistry, 1993 , vol. 30, # 2 p. 353 - 356

~%

2-butyl-1,1-dioxo-1,2-benzothiazol-3-one Structure

2-butyl-1,1-dio...

CAS#:7499-96-9

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Literature: Wrobel, Jay; Dietrich, Arlene; Woolson, Shiela A.; Millen, Jane; McCaleb, Michael; et al. Journal of Medicinal Chemistry, 1992 , vol. 35, # 24 p. 4613 - 4627

~%

2-butyl-1,1-dioxo-1,2-benzothiazol-3-one Structure

2-butyl-1,1-dio...

CAS#:7499-96-9

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Literature: Abe Yakugaku Zasshi, 1955 , vol. 75, p. 159,162 Chem.Abstr., 1956 , p. 1779 Show Details Rice; Pettit Journal of the American Chemical Society, 1943 , vol. 76, p. 302 View citing articles Show Details Merritt; Levey; Cutter Journal of the American Chemical Society, 1939 , vol. 61, p. 15

 2-butyl-1,1-dioxo-1,2-benzothiazol-3-oneBioassay

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Name: Inhibition of recombinant human carbonic anhydrase-9 assessed as reduction in CO2 hyd...
Source: ChEMBL
Target: Carbonic anhydrase 9
External Id: CHEMBL4021392
Name: Inhibition of recombinant human carbonic anhydrase-12 assessed as reduction in CO2 hy...
Source: ChEMBL
Target: Carbonic anhydrase 12
External Id: CHEMBL4021393
Name: Inhibition of recombinant human carbonic anhydrase-1 assessed as reduction in CO2 hyd...
Source: ChEMBL
Target: Carbonic anhydrase 1
External Id: CHEMBL4021390
Name: Inhibition of recombinant human carbonic anhydrase-2 assessed as reduction in CO2 hyd...
Source: ChEMBL
Target: Carbonic anhydrase 2
External Id: CHEMBL4021391
Name: Hypolipidemic activity (14th day serum triglyceride) at 20 mg/kg in CF1 male mice
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL731617
Name: Hypolipidemic activity (9th day serum cholesterol) at 20 mg/kg in CF1 male mice
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL731619
Name: Hypolipidemic activity (16th day serum cholesterol) at 20 mg/kg in CF1 male mice
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL731618
Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
Name: AlphaScreen-based biochemical high throughput primary assay to identify activators of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: FBW7_ACT_ALPHA_1536_1X%ACT PRUN
Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
External Id: MITF_INH_Alpha_1536_1X%INH PRUN
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 Synonyms

Butylbenisothiazolene
1,2-Benzisothiazol-3(2H)-one, 2-butyl-, 1,1-dioxide
2-Butyl-1,2-benzothiazol-3(2H)-one 1,1-dioxide
butyl saccharin
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