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2,2'-Dithiobisbenzanilide

CAT: 0572-TRC-D494213-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D494213-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
135-57-9
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
O=C(Nc1ccccc1SSc2ccccc2NC(=O)c3ccccc3)c4ccccc4
Molecular Formula
C26H20N2O2S2
Molecular Weight
456.58
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2,2'-Dibenzoylaminodiphenyl disulfide
CAS Number135-57-9
PubChem CID67271
IUPAC NameN-[2-[(2-benzamidophenyl)disulfanyl]phenyl]benzamide
Molecular FormulaC26H20N2O2S2
Molecular Weight456.6
XLogP5.7
Topological Polar Surface Area109
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity553
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2SSC3=CC=CC=C3NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C26H20N2O2S2/c29-25(19-11-3-1-4-12-19)27-21-15-7-9-17-23(21)31-32-24-18-10-8-16-22(24)28-26(30)20-13-5-2-6-14-20/h1-18H,(H,27,29)(H,28,30)
InChIKey
ZHMIOPLMFZVSHY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2'-Dibenzoylaminodiphenyl disulfide
CAS: 135-57-9
CID: 67271
Formula: C26H20N2O2S2
MW: 456.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.6
XLogP35.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass456.09662023
Monoisotopic Mass456.09662023
Topological Polar Surface Area109 Ų
Heavy Atom Count32
Formal Charge0
Complexity553
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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