2-Butyl-1,2-benzisothiazolin-3-one

Modify Date: 2025-08-24 20:23:34

2-Butyl-1,2-benzisothiazolin-3-one Structure
2-Butyl-1,2-benzisothiazolin-3-one structure
Common Name 2-Butyl-1,2-benzisothiazolin-3-one
CAS Number 4299-07-4 Molecular Weight 207.29200
Density 1.177 g/cm3 Boiling Point 332.921ºC at 760 mmHg
Molecular Formula C11H13NOS Melting Point N/A
MSDS N/A Flash Point 155 °C

 Names

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

 Chemical & Physical Properties

Density 1.177 g/cm3
Boiling Point 332.921ºC at 760 mmHg
Molecular Formula C11H13NOS
Molecular Weight 207.29200
Flash Point 155 °C
Exact Mass 207.07200
PSA 50.24000
LogP 2.86310
InChIKey LUYIHWDYPAZCNN-UHFFFAOYSA-N
SMILES CCCCn1sc2ccccc2c1=O

 Safety Information

HS Code 2934999090

 Synthetic Route

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 2-Butyl-1,2-benzisothiazolin-3-oneBioassay

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Name: Inhibition of Candida albicans Fructose-1,6-Bisphosphate Aldolase C111S mutant transf...
Source: ChEMBL
Target: N/A
External Id: CHEMBL5045449
Name: Inhibition of Candida albicans Fructose-1,6-Bisphosphate Aldolase C111S mutant transf...
Source: ChEMBL
Target: N/A
External Id: CHEMBL5045447
Name: Inhibition of Candida albicans Fructose-1,6-Bisphosphate Aldolase C292S mutant transf...
Source: ChEMBL
Target: N/A
External Id: CHEMBL5045441
Name: Inhibition of Candida albicans Fructose-1,6-Bisphosphate Aldolase C292S mutant transf...
Source: ChEMBL
Target: N/A
External Id: CHEMBL5045439
Name: Inhibition of Candida albicans Fructose-1,6-Bisphosphate Aldolase C157S mutant transf...
Source: ChEMBL
Target: N/A
External Id: CHEMBL5045445
Name: Inhibition of Candida albicans Fructose-1,6-Bisphosphate Aldolase C157S mutant transf...
Source: ChEMBL
Target: N/A
External Id: CHEMBL5045443
Name: Inhibition of wild type Candida albicans Fructose-1,6-Bisphosphate Aldolase transfect...
Source: ChEMBL
Target: N/A
External Id: CHEMBL5045433
Name: Selectivity ratio of IC50 for inhibition of wild type Candida albicans Fructose-1,6-B...
Source: ChEMBL
Target: N/A
External Id: CHEMBL5045438
Name: Selectivity ratio of IC50 for inhibition of wild type Candida albicans Fructose-1,6-B...
Source: ChEMBL
Target: N/A
External Id: CHEMBL5045437
Name: Selectivity ratio of IC50 for inhibition of Candida albicans Fructose-1,6-Bisphosphat...
Source: ChEMBL
Target: N/A
External Id: CHEMBL5045436
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 Synonyms

2-Butyl-2,3-dihydrobenzisothiazol-3-one
2-butyl-1,2-benzisothiazolin-3-one
UNII-7PK26VAT4Q
2-butyl-1,2-benzisothiazolone
N-n-butyl-1,2-benzisothiazolin-3-one
2-n-butylbenzisothiazolin-3-one
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