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NSC697923

CAT: 0498-bs-75444C-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-75444C-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
343351-67-7
Conjugation
Unconjugated
Purity
>98% (NMR)
Buffer
Solid
Solubility
Soluble in DMSO.
Smiles
CC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(O1)[N+]([O-])=O
Molecular Formula
C11H9NO5S
Molecular Weight
267.3
Storage Conditions
Stable for 2 years after receipt when stored at -20°C.
Appearance
White solid.

Chemical Information

2-((4-Methylphenyl)sulfonyl)-5-nitrofuran

a Ubc13 inhibitor; structure in first source

CAS Number343351-67-7
PubChem CID394449
IUPAC Name2-(4-methylphenyl)sulfonyl-5-nitrofuran
Molecular FormulaC11H9NO5S
Molecular Weight267.26
XLogP2.6
Topological Polar Surface Area101
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity402
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C11H9NO5S/c1-8-2-4-9(5-3-8)18(15,16)11-7-6-10(17-11)12(13)14/h2-7H,1H3
InChIKey
GAUHIPWCDXOLCZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((4-Methylphenyl)sulfonyl)-5-nitrofuran
CAS: 343351-67-7
CID: 394449
Formula: C11H9NO5S
MW: 267.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight267.26
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass267.02014356
Monoisotopic Mass267.02014356
Topological Polar Surface Area101 Ų
Heavy Atom Count18
Formal Charge0
Complexity402
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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