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STF 083010

CAT: 0607-B5624-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B5624-50Size:50 mg
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Description
IRE1α endonuclease inhibitor
CAS Number
307543-71-1
Product Name Alternative
(E)-N-((2-hydroxynaphthalen-1-yl)methylene)thiophene-2-sulfonamide
Field of Research
Neuroscience AChE
Purity
0.9945
Solubility
≥31.7 mg/mL in DMSO; insoluble in EtOH; insoluble in H2O
Smiles
O=S(C1=CC=CS1)(/N=C/C2=C3C=CC=CC3=CC=C2O)=O
Molecular Formula
C15H11NO3S2
Molecular Weight
317.38
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

N-((2-Hydroxy-1-naphthalenyl)methylene)-2-thiophenesulfonamide
CAS Number307543-71-1
PubChem CID729483
IUPAC NameN-[(2-hydroxynaphthalen-1-yl)methylidene]thiophene-2-sulfonamide
Molecular FormulaC15H11NO3S2
Molecular Weight317.4
XLogP3.7
Topological Polar Surface Area103
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity486
SMILES
C1=CC=C2C(=C1)C=CC(=C2C=NS(=O)(=O)C3=CC=CS3)O
InChI
InChI=1S/C15H11NO3S2/c17-14-8-7-11-4-1-2-5-12(11)13(14)10-16-21(18,19)15-6-3-9-20-15/h1-10,17H
InChIKey
TVIVJHZHPKNDAQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-((2-Hydroxy-1-naphthalenyl)methylene)-2-thiophenesulfonamide
CAS: 307543-71-1
CID: 729483
Formula: C15H11NO3S2
MW: 317.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight317.4
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass317.01803556
Monoisotopic Mass317.01803556
Topological Polar Surface Area103 Ų
Heavy Atom Count21
Formal Charge0
Complexity486
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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