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Thiorphan Disulfide

CAT: 0572-TRC-T369505-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T369505-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
123658-06-0
Synonyms
N,N'-[Dithiobis[1-oxo-2-(phenylmethyl)-3,1-propanediyl]]bis-glycine
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
O=C(NCC(O)=O)C(CSSCC(C(NCC(O)=O)=O)CC1=CC=CC=C1)CC2=CC=CC=C2
Molecular Formula
C24H28N2O6S2
Molecular Weight
504.62
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Thiorphan Disulfide
CAS Number123658-06-0
PubChem CID74436591
IUPAC Name2-[[2-benzyl-3-[[2-benzyl-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]propanoyl]amino]acetic acid
Molecular FormulaC24H28N2O6S2
Molecular Weight504.6
XLogP2.6
Topological Polar Surface Area183
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Heavy Atom Count34
Formal Charge0
Complexity610
SMILES
C1=CC=C(C=C1)CC(CSSCC(CC2=CC=CC=C2)C(=O)NCC(=O)O)C(=O)NCC(=O)O
InChI
InChI=1S/C24H28N2O6S2/c27-21(28)13-25-23(31)19(11-17-7-3-1-4-8-17)15-33-34-16-20(24(32)26-14-22(29)30)12-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2,(H,25,31)(H,26,32)(H,27,28)(H,29,30)
InChIKey
QGHBJQCOYUZBCX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thiorphan Disulfide
CAS: 123658-06-0
CID: 74436591
Formula: C24H28N2O6S2
MW: 504.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.6
XLogP32.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Exact Mass504.13887896
Monoisotopic Mass504.13887896
Topological Polar Surface Area183 Ų
Heavy Atom Count34
Formal Charge0
Complexity610
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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