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Benzothiazolylsulfenylthiocyanate

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Identification
Molecular formula
C9H6N2S3
CAS number
847968-01-2
IUPAC name
1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate
State
State

At room temperature, Benzothiazolylsulfenylthiocyanate is typically in a solid state.

Melting point (Celsius)
90.00
Melting point (Kelvin)
363.15
Boiling point (Celsius)
300.00
Boiling point (Kelvin)
573.15
General information
Molecular weight
222.33g/mol
Molar mass
222.3300g/mol
Density
1.3900g/cm3
Appearence

Benzothiazolylsulfenylthiocyanate typically appears as a solid compound. Its color can vary, but it is often found as a pale yellow to yellow substance.

Comment on solubility

Solubility of 1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate

The solubility of 1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate (often referred to in shorthand as BTST) is a nuanced topic influenced by several factors. Here are some key points to consider:

  • Polarity: BTST exhibits a certain level of polarity due to the presence of the thiocyanate group. This can lead to enhanced solubility in polar solvents such as water.
  • Solvent Types: It is generally more soluble in organic solvents such as ethanol and dimethyl sulfoxide (DMSO), which facilitate interactions through hydrogen bonding and dipole interactions.
  • Temperature Effects: As with many chemical compounds, temperature can significantly influence solubility. Increased temperatures typically enhance solubility in most solvents.
  • pH Sensitivity: The solubility may also vary with changes in pH, especially if the compound can undergo protonation or deprotonation in response to environmental conditions.

In summary, the solubility of 1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate is multifaceted, relying heavily on the nature of the solvent and external conditions. Emphasizing these aspects ensures a deeper understanding of its behavior in various chemical environments.

Interesting facts

Interesting Facts about 1,3-Benzothiazol-2-ylsulfanylmethyl Thiocyanate

The compound 1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate is an intriguing member of the thiocyanate family that combines elements of both organic chemistry and material science. It features a distinctive structure that pairs a benzothiazole moiety with a thiocyanate functional group, leading to a variety of unique properties and applications.

Noteworthy Characteristics:

  • Biological Activity: Compounds of this type have received attention for their potential biological activities, which can include antifungal and antimicrobial properties.
  • Synthetic Versatility: The synthesis of 1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate often involves innovative synthetic routes, enabling chemists to develop new derivatives with tailored properties.
  • Material Applications: Due to its unique structure, this compound can be studied for applications in materials science, particularly in the development of specialty materials.
  • Reactivity: The presence of the thiocyanate group may impart interesting reactivity that can be harnessed for various chemical transformations in synthetic chemistry.

As a scientific compound, it exemplifies how structural elements can dictate functionality. The study of such molecules not only enriches our understanding of chemistry but may also lead to fascinating advancements in pharmacology and materials engineering. It is essential to continue exploring these compounds to unveil their full potential in various fields.

In the words of a renowned chemist, “Chemistry is like cooking, just don’t lick the spoon,” emphasizing the need for rigorous study and curiosity while navigating the compounds we investigate.

Synonyms
21564-17-0
TCMTB
2-(Thiocyanomethylthio)benzothiazole
Benthiazole
Superdavloxan
Alentisan
Ichiban
Sancelant TMB
Busan
Delsan 30
Busan 72A
Busan 15
Busan 71
Busan 72
Busan 1030
Busan 30
Busan 30A
Busan 30I
Busan 70
Protector 3L
THIOCYANIC ACID, (2-BENZOTHIAZOLYLTHIO)METHYL ESTER
Benthiazole 30%
Busan 44
KVK 733059
5GE166YVQV
TCMTB 30%
TCMTB 60%
TCMTB 80%
(2-Benzothiazolylthio)methyl thiocyanate
DTXSID6032647
AI3-29396-X (USDA)
2-(Benzothiazolylthio)methyl thiocyanate
2-Tiocianometiltiobenzotiazolo
BULAB 6009
BUSAN 1118
Benzothiazole, 2-((thiocyanatomethyl)thio)-
DTXCID4012647
Thiocyanic acid, (2-benzothiazolylthio) methyl ester
(((1,3-benzothiazol-2-ylsulfanyl)methyl)sulfanyl)carbonitrile
{[(1,3-benzothiazol-2-ylsulfanyl)methyl]sulfanyl}carbonitrile
RefChem:84891
244-445-0
2-(Thiocyanatomethylthio)benzothiazole
2-((Thiocyanatomethyl)thio)benzo[d]thiazole
1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate
Tolcide 2230
Busan 30-1
Tolcide 2230 (Technical Grade)
2-((Thiocyanatomethyl)thio)benzothiazole
2-[(Thiocyanatomethyl)thio]benzothiazole
Caswell No. 853A
C9H6N2S3
HSDB 6450
Thiocyanic Acid (2-Benzothiazolylthio)methyl Ester
EINECS 244-445-0
MFCD00072503
Acticide WB 300
TCMTB (Busan)
2-Benzothiazolylthio methyl thiocyanate
EPA Pesticide Chemical Code 035603
2-Thiocyanomethylthiobenzothiazole, 80%
BRN 1213014
2-Tiocianometiltiobenzotiazolo [Italian]
Tolcide 2230?
(Benzothiazol-2-ylthio)methyl thiocyanate
2-(Thiocyanatomethylthio)benzo[d]thiazole
2-(Thiocyanomethylthio)benzothiazole, 60%
TCMTB [HSDB]
TCMTB [MI]
UNII-5GE166YVQV
2-Tiocianometiltiobenzotiazolo, 80% [Italian]
SCHEMBL54175
orb1694362
CHEMBL1903976
SCHEMBL29352673
Thiocyanic acid, (2-benzothiazolylthio)methyl ester, 30%
Thiocyanic acid, 2-(benzothiazolylthio)methyl ester, 60%
Thiocyanic acid, 2-(benzothiazolylthio)methyl ester, 80%
GLXC-10742
BCP25511
MSK20394
Tox21_301072
2-Tiocianometiltiobenzotiazolo, 80%
AKOS015915374
FT41129
NCGC00168337-01
NCGC00168337-02
NCGC00254973-01
TS-08836
CAS-21564-17-0
DB-030386
CS-0021321
NS00001883
(1,3-benzothiazol-2-ylthio)methyl thiocyanate
N16944
564T170
Q158532
(1,3-Benzothiazol-2-ylsulfanyl)methyl thiocyanate #
2-(Thiocyanatomethylthio)benzothiazole, PESTANAL(R), analytical standard
(1,3-Benzothiazol-2-ylsulfanyl)methyl thiocyanate (2-benzothiazolylthio)methylthiocyanate[qr]