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M-3M3FBS

CAT: 0498-bs-75469C-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-75469C-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
200933-14-8
Conjugation
Unconjugated
Purity
>98%
Buffer
Solid
Solubility
Soluble in DMSO (10mg/ml) or ethanol (10mg/ml) .
Smiles
FC(F)(F)C1=CC=CC(NS(C2=C(C)C=C(C)C=C2C)(=O)=O)=C1
Molecular Formula
C16H16F3NO2S
Molecular Weight
343.4
Storage Conditions
Stable for 2 years after receipt when stored at -20°C.
Appearance
White to off-white solid.

Chemical Information

m-3M3FBS

2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is a sulfonamide.

CAS Number200933-14-8
PubChem CID761523
IUPAC Name2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
Molecular FormulaC16H16F3NO2S
Molecular Weight343.4
XLogP4.4
Topological Polar Surface Area54.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity488
SMILES
CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=CC(=C2)C(F)(F)F)C
InChI
InChI=1S/C16H16F3NO2S/c1-10-7-11(2)15(12(3)8-10)23(21,22)20-14-6-4-5-13(9-14)16(17,18)19/h4-9,20H,1-3H3
InChIKey
ZIIUUSVHCHPIQD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of m-3M3FBS
CAS: 200933-14-8
CID: 761523
Formula: C16H16F3NO2S
MW: 343.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight343.4
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass343.08538441
Monoisotopic Mass343.08538441
Topological Polar Surface Area54.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity488
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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