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3-Isothiocyanatoprop-1-ene

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Identification
Molecular formula
C4H5NS
CAS number
10546-69-7
IUPAC name
3-isothiocyanatoprop-1-ene
State
State
3-Isothiocyanatoprop-1-ene is in a liquid state at room temperature, with a slightly viscous consistency typical of many organic liquids.
Melting point (Celsius)
-34.00
Melting point (Kelvin)
239.15
Boiling point (Celsius)
164.00
Boiling point (Kelvin)
437.15
General information
Molecular weight
115.18g/mol
Molar mass
115.1790g/mol
Density
1.0563g/cm3
Appearence
3-Isothiocyanatoprop-1-ene is typically observed as a colorless to pale yellow liquid. The compound may exhibit a subtle odor characteristic of sulfur-containing compounds.
Comment on solubility

Solubility of 3-isothiocyanatoprop-1-ene (C4H5NS)

3-isothiocyanatoprop-1-ene, a compound with the chemical formula C4H5NS, displays some interesting solubility characteristics that are important for its applications in various fields. Understanding its solubility can help in predicting its behavior in different environments. Here are some key points regarding the solubility of this compound:

  • Polarity: The presence of a nitrogensulfur functional group suggests that the compound has polar characteristics, which can enhance its solubility in polar solvents.
  • Solvent Compatibility: 3-isothiocyanatoprop-1-ene is soluble in common polar solvents such as water and alcohols, thanks to its polar bonds.
  • Organic Solvents: It can also dissolve in many organic solvents, making it versatile for experimental procedures.
  • Temperature Dependence: As with many compounds, solubility may increase with temperature, allowing for higher concentrations in solution.

As one considers the use of 3-isothiocyanatoprop-1-ene in synthesis or application, it is essential to take into account its solubility profile. A common phrase in chemistry states, "'Like dissolves like'," which can help guide solvent selection. Thus, understanding the solubility of this compound can significantly impact its practical use.

Interesting facts

Interesting Facts about 3-Isothiocyanatoprop-1-ene

3-Isothiocyanatoprop-1-ene, often abbreviated as ITC, is a fascinating compound that belongs to the class of isothiocyanates. These compounds are notable for their numerous applications in various fields, especially in the realm of chemistry and agriculture. Here are some engaging insights into this intriguing compound:

  • Biological Activity: Studies have shown that isothiocyanates, including 3-isothiocyanatoprop-1-ene, exhibit significant biological activities. They are known for their potential anti-cancer properties and are researched for their role in modifying the growth of cancer cells.
  • Agricultural Applications: This compound is particularly important in agriculture. Isothiocyanates have been found to act as natural pesticides, providing protection against various pests and diseases in crops. This makes them valuable for sustainable farming practices.
  • Flavor and Aroma: Isothiocyanates contribute to the characteristic taste and aroma of cruciferous vegetables, such as mustard and broccoli. The pungent flavor associated with these vegetables is largely attributed to the presence of compounds like 3-isothiocyanatoprop-1-ene.

In addition to these applications, the synthesis and reaction pathways of 3-isothiocyanatoprop-1-ene are also subjects of considerable interest. The compound can be synthesized through various methods, often involving the reaction of thiocyanates with alkenes. As emphasized by researchers, the “modification of plant secondary metabolites through isothiocyanate formation can influence both ecological and health-related functions.”

In conclusion, 3-isothiocyanatoprop-1-ene not only enriches our understanding of organic chemistry but also provides valuable contributions to health and agriculture, making it a compound of significant scientific interest.

Synonyms
ALLYL ISOTHIOCYANATE
57-06-7
3-isothiocyanatoprop-1-ene
AITC
Redskin
Allylsenevol
Allylsenfoel
Oleum sinapis
ALLYLISOTHIOCYANATE
Allylsevenolum
Senfoel
Allyl isosulfocyanate
Allyspol
Carbospol
1-Propene, 3-isothiocyanato-
3-Isothiocyanato-1-propene
Senf oel
2-Propenyl isothiocyanate
Oleum sinapis volatile
Isothiocyanate d'allyle
Allyl sevenolum
Allyspol 75EC
Allyl thioisocyanate
Isothiocyanic acid allyl ester
Allyl isosulphocyanate
FEMA No. 2034
Isothiocyansaeureallylester
Senf oel [German]
Allylsenfoel [German]
Caswell No. 027
NCI-C50464
Isothiocyanic acid, allyl ester
Allylisothiokyanat [Czech]
Allyl isothiocyanate [USAN]
Allyl isothiocyanate (natural)
Allyl isothiocyanate, stabilized
Isothiocyanate d'allyle [French]
NSC 5572
NSC-5572
Propene, 3-isothiocyanato-
UN1545
3-iso-Thiocyanatoprop-1-ene
Allyl isothiocyanate, non-perfume grade
BN34FX42G3
DTXSID3020047
CHEBI:73224
Allyl isothiocyanate (USP)
DTXCID8047
CHEMBL233248
Fats and Glyceridicoils, mustard
ALLYL ISOTHIOCYANATE [MI]
NSC5572
ALLYL ISOTHIOCYANATE [FCC]
ALLYL ISOTHIOCYANATE [FHFI]
ALLYL ISOTHIOCYANATE [HSDB]
ALLYL ISOTHIOCYANATE [IARC]
ALLYL ISOTHIOCYANATE [MART.]
ALLYL ISOTHIOCYANATE [WHO-DD]
ISOTHIOCYANIC ACID,ALLYL ESTER
NCGC00091743-01
ALLYL ISOTHIOCYANATE [USP MONOGRAPH]
SENF OEL (GERMAN)
ALLYLSENFOEL (GERMAN)
ALLYL ISOTHIOCYANATE (IARC)
FEMA Number 2034
ALLYL ISOTHIOCYANATE (MART.)
Allylisothiokyanat
allyl isorhodanide
CAS-57-06-7
CCRIS 20
ISOTHIOCYANATE D'ALLYLE (FRENCH)
ALLYL ISOTHIOCYANATE, (STABILIZED)
ALLYL ISOTHIOCYANATE, [STABILIZED]
allyl thiocarbonimide
ALLYL ISOTHIOCYANATE (USP MONOGRAPH)
FEMA No. 2760
HSDB 617
Mustard, brown (Brassica spp.)
3-isothiocyanatopropene
Mustard, yellow (Brassica spp.)
EINECS 200-309-2
EINECS 232-358-0
MFCD00004822
EPA Pesticide Chemical Code 004901
BRN 0773748
UNII-BN34FX42G3
Allyl senevolum
AI3-15283
Allyl isothiocyanate [USAN:USP]
mustard seed oleoresin
3Isothiocyanato1propene
2Propenyl isothiocyanate
Allyl isothiocyanic acid
3-isothiocyanato-propene
TYY1MA9BSY
1Propene, 3isothiocyanato
MUSTARD OIL [FCC]
Allyl isothiocyanate, 97%
WLN: SCN2U1
MUSTARD OIL [VANDF]
3-isothiocyanato-prop-1-ene
Potassium allyl isothiocyanate
GTPL2420
DTXSID3044176
GLXC-20576
HMS3264D06
Pharmakon1600-01506103
Tox21_111165
Tox21_202249
Tox21_302890
Allyl isothiocyanate, >=95%, FCC
BDBM50203072
MSK010007
NSC760137
STL194262
Allyl isothiocyanate non-perfume grade
Allyl isothiocyanate, nonperfume grade
AKOS000119301
CCG-213613
NSC-760137
USEPA/OPP Pesticide Code: 004901
NCGC00091743-02
NCGC00256536-01
NCGC00259798-01
BP-12926
Allyl isothiocyanate, purum, >=98% (GC)
DB-022435
Potassium, (1-isothiocyanato-2-propenyl)-
I0185
NS00007069
EN300-19008
C19317
D02818
G84101
AB01563144_01
Q419406
Allyl isothiocyanate 100 microg/mL in Acetonitrile
Allyl isothiocyanate, stabilized (0.1% tocopherols)
Allyl isothiocyanate, contains BHT as stabilizer, 95%
Allyl isothiocyanate, stabilized [UN1545] [Poison]
BRD-K33219225-001-01-9
F9995-1653
Z104472178
Allyl isothiocyanate, PESTANAL(R), analytical standard, stabilized
200-309-2