5-(Methyl-d3)-dibenzothiophenium, 1,1,1-trifluoromethanesulfonate
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Product
5-(Methyl-d3)-dibenzothiophenium, 1,1,1-trifluoromethanesulfonate
CAS
2251781-83-4
Product Description
5-(Methyl-d3)-dibenzothiophenium, 1,1,1-trifluoromethanesulfonate is a specialized chemical compound with a complex structure, often used in research and development settings. It features a trifluoromethanesulfonate group and is labeled with a deuterated methyl group, making it valuable for various analytical applications.
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Typical Product Specifications
Chemical Structure
Canonicalized Compound
1
Compound Complexity
336
Hydrogen Bond Acceptor Count
6
Allowed IUPAC Name
5-(trideuteriomethyl)dibenzothiophen-5-ium;trifluoromethanesulfonate
CAS-like Style IUPAC Name
5-(trideuteriomethyl)dibenzothiophen-5-ium;trifluoromethanesulfonate
Markup IUPAC Name
5-(trideuteriomethyl)dibenzothiophen-5-ium;trifluoromethanesulfonate
Preferred IUPAC Name
5-(trideuteriomethyl)dibenzothiophen-5-ium;trifluoromethanesulfonate
Systematic IUPAC Name
5-(trideuteriomethyl)dibenzothiophen-5-ium;tris(fluoranyl)methanesulfonate
Traditional IUPAC Name
5-(trideuteriomethyl)dibenzothiophen-5-ium;triflate
Standard InChI
InChI=1S/C13H11S.CHF3O3S/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;2-1(3,4)8(5,6)7/h2-9H,1H3;(H,5,6,7)/q+1;/p-1/i1D3;
Standard InChIKey
ROHWBLNJJVPWCN-NIIDSAIPSA-M
Exact Mass
351.02900128
Molecular Weight
351.4
Canonical SMILES
C[S+]1C2=CC=CC=C2C3=CC=CC=C31.C(F)(F)(F)S(=O)(=O)[O-]
Isomeric SMILES
[2H]C([2H])([2H])[S+]1C2=CC=CC=C2C3=CC=CC=C31.C(F)(F)(F)S(=O)(=O)[O-]
Polar Surface Area Topological
66.6
MonoIsotopic Weight
351.02900128
Class
Uses of 5-(Methyl-d3)-dibenzothiophenium, 1,1,1-trifluoromethanesulfonate
This compound is primarily utilized in the synthesis of other chemical intermediates, in pharmaceutical research. Its unique properties allow it to serve as a reagent in organic synthesis, particularly in the development of new drugs and materials. Additionally, it may be used in studies involving isotopic labeling.
Industries that use 5-(Methyl-d3)-dibenzothiophenium, 1,1,1-trifluoromethanesulfonate
- Pharmaceuticals - In the pharmaceutical industry, this compound is used in the development of new drugs, particularly in the synthesis of active pharmaceutical ingredients (APIs) and intermediates.
- Chemical Manufacturing - Chemical manufacturers utilize this compound as an intermediate in the production of various chemicals, enhancing the efficiency and specificity of their synthesis processes.
- Research and Development - In R&D settings, this compound is employed for its unique isotopic labeling properties, aiding in studies related to drug metabolism and chemical behavior.
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- Complementary Products
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5-(Methyl-d3)-dibenzothiophenium, 1,1,1-trifluoromethanesulfonate
Product
5-(Methyl-d3)-dibenzothiophenium, 1,1,1-trifluoromethanesulfonate
CAS
2251781-83-4
Product Description
5-(Methyl-d3)-dibenzothiophenium, 1,1,1-trifluoromethanesulfonate is a specialized chemical compound with a complex structure, often used in research and development settings. It features a trifluoromethanesulfonate group and is labeled with a deuterated methyl group, making it valuable for various analytical applications.
Need a quote for 5-(Methyl-d3)-dibenzothiophenium, 1,1,1-trifluoromethanesulfonate?
Please fill out the RFQ form, and one of our representatives will contact you as soon as possible.
Typical Product Specifications
Chemical Structure
Canonicalized Compound
1
Compound Complexity
336
Hydrogen Bond Acceptor Count
6
Allowed IUPAC Name
5-(trideuteriomethyl)dibenzothiophen-5-ium;trifluoromethanesulfonate
CAS-like Style IUPAC Name
5-(trideuteriomethyl)dibenzothiophen-5-ium;trifluoromethanesulfonate
Markup IUPAC Name
5-(trideuteriomethyl)dibenzothiophen-5-ium;trifluoromethanesulfonate
Preferred IUPAC Name
5-(trideuteriomethyl)dibenzothiophen-5-ium;trifluoromethanesulfonate
Systematic IUPAC Name
5-(trideuteriomethyl)dibenzothiophen-5-ium;tris(fluoranyl)methanesulfonate
Traditional IUPAC Name
5-(trideuteriomethyl)dibenzothiophen-5-ium;triflate
Standard InChI
InChI=1S/C13H11S.CHF3O3S/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;2-1(3,4)8(5,6)7/h2-9H,1H3;(H,5,6,7)/q+1;/p-1/i1D3;
Standard InChIKey
ROHWBLNJJVPWCN-NIIDSAIPSA-M
Exact Mass
351.02900128
Molecular Weight
351.4
Canonical SMILES
C[S+]1C2=CC=CC=C2C3=CC=CC=C31.C(F)(F)(F)S(=O)(=O)[O-]
Isomeric SMILES
[2H]C([2H])([2H])[S+]1C2=CC=CC=C2C3=CC=CC=C31.C(F)(F)(F)S(=O)(=O)[O-]
Polar Surface Area Topological
66.6
MonoIsotopic Weight
351.02900128
Class
Uses of 5-(Methyl-d3)-dibenzothiophenium, 1,1,1-trifluoromethanesulfonate
This compound is primarily utilized in the synthesis of other chemical intermediates, in pharmaceutical research. Its unique properties allow it to serve as a reagent in organic synthesis, particularly in the development of new drugs and materials. Additionally, it may be used in studies involving isotopic labeling.
Industries that use 5-(Methyl-d3)-dibenzothiophenium, 1,1,1-trifluoromethanesulfonate
- Pharmaceuticals - In the pharmaceutical industry, this compound is used in the development of new drugs, particularly in the synthesis of active pharmaceutical ingredients (APIs) and intermediates.
- Chemical Manufacturing - Chemical manufacturers utilize this compound as an intermediate in the production of various chemicals, enhancing the efficiency and specificity of their synthesis processes.
- Research and Development - In R&D settings, this compound is employed for its unique isotopic labeling properties, aiding in studies related to drug metabolism and chemical behavior.
Related Products
- Complementary Products
- Alternative Products
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