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Benzothiazolinone

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Identification
Molecular formula
C7H5NOS
CAS number
2634-33-5
IUPAC name
1,2-benzothiazol-3-one
State
State

At room temperature, Benzothiazolinone is a solid compound. It presents in a crystalline form and is stable under normal conditions.

Melting point (Celsius)
152.00
Melting point (Kelvin)
425.00
Boiling point (Celsius)
340.00
Boiling point (Kelvin)
613.00
General information
Molecular weight
151.19g/mol
Molar mass
151.1880g/mol
Density
1.3920g/cm3
Appearence

Benzothiazolinone is generally presented as a white to pale yellow crystalline powder with a distinctive odor. Its crystalline nature gives it a solid and firm texture.

Comment on solubility

Solubility of 1,2-benzothiazol-3-one

1,2-benzothiazol-3-one, known for its unique structure, exhibits distinct solubility characteristics that are essential to understand its behavior in various chemical environments.

Solubility Characteristics

This compound is typically more soluble in:

  • Organic solvents such as ethanol, acetone, and chloroform.
  • Aromatic hydrocarbon solvents, which can interact favorably due to its heterocyclic nature.

However, it is less soluble in:

  • Water, making it poorly soluble due to the absence of polar functional groups that can engage in hydrogen bonding.
  • Non-polar solvents, where its moderate polarity does not provide sufficient interaction.

In summary, the solubility profile of 1,2-benzothiazol-3-one highlights that:

  • It can dissolve well in polar organic solvents.
  • It shows minimal solubility in aqueous environments.

Understanding these solubility characteristics is crucial for applications involving this compound, particularly in fields such as pharmaceuticals and dye chemistry where solubility can greatly influence functionality and reactivity.

Interesting facts

Exploring 1,2-benzothiazol-3-one: A Multifaceted Compound

1,2-benzothiazol-3-one is an intriguing compound that belongs to the class of heterocycles, which are essential in various fields of chemistry and pharmacology. Here are some interesting facts that highlight its significance:

  • Structure and Reactivity: This compound features a fused benzene and thiazole ring system, making it structurally unique and reactive. The presence of both sulfur and nitrogen atoms contributes to its diverse chemical behavior.
  • Applications: 1,2-benzothiazol-3-one is predominantly utilized in the production of benzothiazole derivatives, which are essential in dyes and pigments. Its application extends into agrochemicals and pharmaceuticals as well.
  • Biological Activity: Research has shown that this compound exhibits promising biological activity, including antimicrobial and antitumor properties. Such activities make it a subject of interest for drug development.
  • Environmental Concerns: The environmental implications of benzothiazole compounds are gaining attention. They have been detected in wastewater and can be toxic to aquatic life, prompting ongoing studies on their ecological impact.
  • Synthesis: The synthetic pathways to produce 1,2-benzothiazol-3-one often involve simple reactions that leverage readily available precursors, making it accessible for both laboratory and industrial applications.

As a compound intricately woven into the fabric of modern chemistry, 1,2-benzothiazol-3-one serves as a bridge linking basic research with practical applications. Its diverse functionalities continue to inspire scientists seeking innovative solutions across various disciplines.

Synonyms
1,2-Benzisothiazol-3(2H)-one
2634-33-5
1,2-Benzisothiazolin-3-one
benzisothiazolone
benzisothiazolinone
benzoisothiazol-3-one
Proxel
1,2-Benzisothiazoline-3-one
Proxel PL
Nipacide BIT
Benzisothiazolin-3-one
Proxel AB
2,3-dihydro-1,2-benzothiazol-3-one
1,2-BENZISOTHIAZOL-3-ONE
3-Hydroxy-1,2-benzisothiazole
C7H5NOS
Proxel XL 2
Benzocil
1,2-Benzisothiazolone
1,2-benzoisothiazolin-3-one
Caswell No. 079A
Caswell No. 513A
1,2-benzisothiazolinone
Acticide BIT
Canguard BIT
Denicide BIT
Proxel BD
Proxel CF
Proxel TN
Proxel XL
Proxel BDN
Proxel GXL
San-aibac AP
Proxel Ultra 5
Apizas AP-DS
Proxel LV-S
Proxel Press Paste
Acticide BW 20
Bestcide 200K
Parmetol B 70
Parmetol D 11
Nipacide BIT 20
Proxel GXL(S)
Proxel HL 2
1,2-Benzoisothiazol-3-one
Nuosept 485
Nuosept 491
Nuosept 495
Topcide 600
XBINX
Denicide BIT 20N
Koralone B 119
Nipacide BIT 10W
Preventol BIT 20D
Proxel BD 20
Proxel Press Paste D
Troysan 1050
Bioban BIT 20DPG
benzisothiazoline-3-one
Canguard BIT 20DPG
CCRIS 6369
2-Thiobenzimide
SD 202 (bactericide)
UNII-HRA0F1A4R3
Canguard Ultra BIT 20LE
EINECS 220-120-9
HRA0F1A4R3
BIT 10W
EPA Pesticide Chemical Code 098901
BIT 20
DTXSID5032523
ORISTAR BIT
2,3-Dihydrobenzisothiazol-3-one
Benzisothiazolone (BIT)
SD 202
DTXCID3012523
HSDB 8271
1, 2-BENZISOTHIAZOLIN-3-ONE
BENZISOTHIAZOL-3(2H)-ONE, 1,2-
1,2Benzisothiazolin3one
1,2Benzisothiazol3(2H)one
BENZISOTHIAZOLINONE [INCI]
220-120-9
inchi=1/c7h5nos/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4h,(h,8,9
1,2-benzothiazol-3-one
Benzo[d]isothiazol-3(2H)-one
Benzo[d]isothiazol-3-one
Benzo[d]isothiazol-3-ol
BIT
IPX
CHEBI:167099
1,2-Benzoisothiazoline-3-one
2,3-dihydro-3-oxo-1,2-benzisothiazole
MLS-0254244.0001
Benzo(d)isothiazol-3(2H)-one
Benzoisothiazol-3-one-13C6
1329616-16-1
40991-37-5
1,2-BENZISOTHAZOL-3(2H)-ONE
1,2-Benzothiazolinone
Epitope ID:115004
Benzisothiazol-3(2H)-one
Benzo(D) Isothiazol-3-one
SCHEMBL26078
cid_17520
MLS000771034
REGID_for_CID_17520
CHEMBL297304
SCHEMBL5586024
BDBM46658
HMS1755P21
HMS2706H20
Tox21_300489
MFCD00044001
AKOS001062434
AKOS030227972
AC-2653
CS-W018117
FB18220
FS-3163
HY-W017401
1,2-Benzisothiazol-3(2H)-one, 97%
NCGC00164206-01
NCGC00248077-01
NCGC00254467-01
SMR000344133
US9011882, Table 1, Compound 20
CAS-2634-33-5
DB-027306
B2430
NS00000271
EN300-17679
B66088
A818398
AE-562/40151878
Q411746
1,2-Benzisothiazol-3(2H)-one, analytical standard
Z56983154
F0288-0100
Benzoisothiazol-3-one;3-Hydroxy-1,2-benzisothiazole;Acticide BIT
1,2-Benzisothiazol-3(2H)-one; Benzisothiazolin-3-one; Proxan; Proxel; Proxel XL; Proxil