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5F 203

CAT: 1410-M13790-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M13790-06Size:100 mg
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Description
A potent, selective antitumour agent through activation the aryl hydrocarbon receptor (AhR) pathway.
CAS Number
260443-89-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
258.314
Molecular Formula
C14H11FN2S
Notes
Research use only, not for human use.
Receptor
AhR

Chemical Information

4-(5-Fluoro-1,3-benzothiazol-2-yl)-2-methylaniline
CAS Number260443-89-8
PubChem CID396813
IUPAC Name4-(5-fluoro-1,3-benzothiazol-2-yl)-2-methylaniline
Molecular FormulaC14H11FN2S
Molecular Weight258.32
XLogP3.8
Topological Polar Surface Area67.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity302
SMILES
CC1=C(C=CC(=C1)C2=NC3=C(S2)C=CC(=C3)F)N
InChI
InChI=1S/C14H11FN2S/c1-8-6-9(2-4-11(8)16)14-17-12-7-10(15)3-5-13(12)18-14/h2-7H,16H2,1H3
InChIKey
IFWLHIIUGSEKKE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(5-Fluoro-1,3-benzothiazol-2-yl)-2-methylaniline
CAS: 260443-89-8
CID: 396813
Formula: C14H11FN2S
MW: 258.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.32
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass258.06269769
Monoisotopic Mass258.06269769
Topological Polar Surface Area67.2 Ų
Heavy Atom Count18
Formal Charge0
Complexity302
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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