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1-(1,3-benzothiazol-2-yl)-3-methyl-urea

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Identification
Molecular formula
C10H11N3OS
CAS number
161870-62-4
IUPAC name
1-(1,3-benzothiazol-2-yl)-3-methyl-urea
State
State

At room temperature, 1-(1,3-benzothiazol-2-yl)-3-methyl-urea is in a solid state, often taking the form of crystalline powder. It is relatively stable under normal conditions but should be handled with care to prevent decomposition at elevated temperatures.

Melting point (Celsius)
160.00
Melting point (Kelvin)
433.15
Boiling point (Celsius)
379.00
Boiling point (Kelvin)
652.15
General information
Molecular weight
207.28g/mol
Molar mass
207.2750g/mol
Density
1.4029g/cm3
Appearence

1-(1,3-benzothiazol-2-yl)-3-methyl-urea typically appears as a solid crystalline substance. The crystals may vary in color from colorless to pale yellow, depending on the level of purity and particle size.

Comment on solubility

Solubility of 1-(1,3-benzothiazol-2-yl)-3-methyl-urea

The solubility of 1-(1,3-benzothiazol-2-yl)-3-methyl-urea is an intriguing topic, particularly due to its unique structure and chemical properties. This compound exhibits moderate solubility in various solvents, which can be summarized as follows:

  • Water: The water solubility of 1-(1,3-benzothiazol-2-yl)-3-methyl-urea may be limited due to its hydrophobic aromatic features.
  • Organic Solvents: However, it tends to dissolve better in polar organic solvents, such as dimethyl sulfoxide (DMSO) and ethanol, which can facilitate interactions with the compound's functional groups.
  • pH Dependency: The solubility may vary with changes in pH, as the ionization of the urea moiety can influence the overall solubility profile.

It's essential to consider that solubility is a crucial factor in drug design and formulation, impacting bioavailability and efficacy. As such, the solubility characteristics of this compound can be critical for applications in various fields, including pharmaceuticals.

In summary, while 1-(1,3-benzothiazol-2-yl)-3-methyl-urea displays certain solubility barriers in water, its better solubility in polar organic solvents emphasizes the importance of selecting the appropriate solvent for effective application.

Interesting facts

Interesting Facts about 1-(1,3-benzothiazol-2-yl)-3-methyl-urea

1-(1,3-benzothiazol-2-yl)-3-methyl-urea is a noteworthy compound in the realm of organic chemistry, particularly due to its unique structure and potential applications. Here are several intriguing aspects:

  • Structural Composition: This compound features a benzothiazole moiety, a bicyclic structure containing both benzene and thiazole rings, which contributes to its chemical reactivity and ability to engage in various reactions.
  • Pesticidal Properties: The compound is known for its activity in agricultural chemistry, particularly as a potential pesticide or herbicide. Its ability to inhibit specific biological processes makes it valuable for crop protection.
  • Pharmaceutical Relevance: Research has shown that derivatives of benzothiazole compounds, including this one, have potential applications in medicinal chemistry, particularly in the development of drugs that target specific diseases and infections.
  • Mechanism of Action: The presence of the urea functional group in its structure suggests that it may interact with target biological molecules through hydrogen bonding, an important feature in the design of effective drugs and agrochemicals.
  • Research Potential: Ongoing studies into the optimization of this compound for various applications reveal a promising avenue for chemical researchers, especially in exploring its derivatives and analogs for enhanced efficacy.

In the words of a renowned chemist, "The beauty of organic compounds lies not just in their structure, but in their versatility and the new possibilities they present in science." This compound exemplifies such beauty, presenting opportunities for innovation in both agriculture and pharmaceuticals.

As research continues, the potential for discovering new properties and applications may lead to exciting advancements. The examination of 1-(1,3-benzothiazol-2-yl)-3-methyl-urea represents the ongoing journey of discovery in the world of chemistry.

Synonyms
Benzthiazuron
1929-88-0
Gatnon
1-(1,3-Benzothiazol-2-yl)-3-methylurea
Gatinon
Bayer 60618
Caswell No. 081C
Benzthiazuron [BSI:ISO]
1-Methyl-3-(2-benzthiazolyl)urea
1-Methyl-3-(2-benzothiazolyl)urea
Benzothiazole, 2-(1-methylureido)-
N-(2-Benzothiazolyl)-N'-methylurea
N-Methyl-N'-(2-benzothiazolyl)urea
BAY 60618
Urea, N-2-benzothiazolyl-N'-methyl-
Urea, 1-(2-benzothiazolyl)-3-methyl-
Urea, 3-(2-benzothiazolyl)-1-methyl-
EINECS 217-685-9
EPA Pesticide Chemical Code 281400
NSC 202513
BRN 0181259
N-(2-Benzthiazolyl)-N'-methylharnstoff
S 22012
UNII-I9612759PA
1-(2-BENZOTHIAZOLYL)-3-METHYLUREA
N-2-Benzothiazolyl-N'-methylurea
3-(2-Benzthiazolyl)-1-methylharnstoff [German]
N-(2-Benzthiazolyl)-N'-methylharnstoff [German]
BENZTHIAZURON [ISO]
I9612759PA
NSC-202513
3-(2-Benzthiazolyl)-1-methylharnstoff
DTXSID8041662
4-27-00-04838 (Beilstein Handbook Reference)
1-(2-Benzothiazolyl)-3-methylurea (8CI)
DTXCID6021662
Urea, N-2-benzothiazolyl-N'-methyl-(9CI)
217-685-9
1-(Benzothiazol-2-yl)-3-methylurea
SCHEMBL133638
CHEBI:82185
DTCJYIIKPVRVDD-UHFFFAOYSA-N
WLN: T56 BN DSJ CMVM1
1-Benzothiazol-2-yl-3-methylurea
NSC202513
AKOS015898414
HS-4707
AC-12580
N-(1,3-benzothiazol-2-yl)-N'-methylurea
NS00010109
C19058
Benzthiazuron, PESTANAL(R), analytical standard
AI-204/31680057
Q22713649
Z230660696