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PIR 3.5

CAT: 0607-B5541-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B5541-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
negative control of IPA 3, a Pak1 inhibitor
CAS Number
6088-51-3
Product Name Alternative
6,6'-disulfanediylbis(naphthalen-2-ol)
Field of Research
Others
Purity
0.9714
Form
Off-white solid
Solubility
≥33.6 mg/mL in DMSO,≥20.05 mg/mL in EtOH,insoluble in H2O
Smiles
OC1=CC(C(C=C1)=C2)=CC=C2SSC3=CC=C(C=C4O)C(C=C4)=C3
Molecular Formula
C20H14O2S2
Molecular Weight
350.45
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

2,2'-Dihydroxy-6,6'-dinaphthyldisulfide

structure

CAS Number6088-51-3
PubChem CID22463
IUPAC Name6-[(6-hydroxynaphthalen-2-yl)disulfanyl]naphthalen-2-ol
Molecular FormulaC20H14O2S2
Molecular Weight350.5
XLogP5.8
Topological Polar Surface Area91.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity380
SMILES
C1=CC2=C(C=CC(=C2)SSC3=CC4=C(C=C3)C=C(C=C4)O)C=C1O
InChI
InChI=1S/C20H14O2S2/c21-17-5-1-15-11-19(7-3-13(15)9-17)23-24-20-8-4-14-10-18(22)6-2-16(14)12-20/h1-12,21-22H
InChIKey
AHXGXXJEEHFHDK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2'-Dihydroxy-6,6'-dinaphthyldisulfide
CAS: 6088-51-3
CID: 22463
Formula: C20H14O2S2
MW: 350.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.5
XLogP35.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass350.04352203
Monoisotopic Mass350.04352203
Topological Polar Surface Area91.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity380
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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