3-Aminothietane tert-butyl ester


Chemical Name: 3-Aminothietane tert-butyl ester
CAS Number: 943437-98-7
Product Number: AG00II2U(AGN-PC-0WA83P)
Synonyms:
MDL No:
Molecular Formula: C8H15NO2S
Molecular Weight: 189.2752

Identification/Properties


Computed Properties
Molecular Weight:
189.273g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
189.082g/mol
Monoisotopic Mass:
189.082g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
172
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



Tert-Butyl thietan-3-ylcarbamate, also known as $name$, plays a crucial role in chemical synthesis as a versatile reagent. This compound finds its application in various organic reactions due to its unique structural features and reactivity. In particular, $name$ is valued for its ability to act as a protective group for sensitive functional groups, shielding them during the course of reactions and facilitating selective transformations.Furthermore, $name$ is employed as a key building block in the synthesis of complex molecules, such as pharmaceuticals and agrochemicals. Its presence allows for the selective modification of specific sites within a molecule, enabling chemists to control the outcome of reactions and create desired products with high efficiency. By serving as a protective group, $name$ helps to enhance the overall synthetic strategy, enabling the synthesis of intricate compounds that would be challenging to access otherwise.Moreover, the unique thietane ring in $name$ imparts distinctive characteristics to the molecule, influencing its behavior in various reactions. This structural motif can participate in ring-opening reactions, allowing for diverse transformations and the creation of structurally diverse products. Additionally, the tert-butyl moiety provides steric hindrance, influencing the regioselectivity and controlling the orientation of subsequent reactions. In this way, $name$ serves as a valuable tool for chemists seeking to achieve precise control over their synthetic pathways and product outcomes.