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Dapsone-D8 (major)

CAT: 0572-TRC-D193255-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D193255-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
557794-38-4
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Smiles
[2H]c1c([2H])c(c([2H])c([2H])c1N)S(=O)(=O)c2c([2H])c([2H])c(N)c([2H])c2[2H]
Molecular Formula
C12 2H8 H4 N2 O2 S
Molecular Weight
256.35
InChI
InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2/i1D,2D,3D,4D,5D,6D,7D,8D
Additionnal Information
IUPAC name: 4-(4-amino-2,3,5,6-tetradeuteriophenyl)sulfonyl-2,3,5,6-tetradeuterioaniline
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Benzen-2,3,5,6-d4-amine, 4,4'-sulfonylbis-
CAS Number557794-38-4
PubChem CID11128937
IUPAC Name4-(4-amino-2,3,5,6-tetradeuteriophenyl)sulfonyl-2,3,5,6-tetradeuterioaniline
Molecular FormulaC12H12N2O2S
Molecular Weight256.35
XLogP1
Topological Polar Surface Area94.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity306
SMILES
[2H]C1=C(C(=C(C(=C1N)[2H])[2H])S(=O)(=O)C2=C(C(=C(C(=C2[2H])[2H])N)[2H])[2H])[2H]
InChI
InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2/i1D,2D,3D,4D,5D,6D,7D,8D
InChIKey
MQJKPEGWNLWLTK-PGRXLJNUSA-N
Chemical Structure
2D Structure
2D structure of Benzen-2,3,5,6-d4-amine, 4,4'-sulfonylbis-
CAS: 557794-38-4
CID: 11128937
Formula: C12H12N2O2S
MW: 256.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight256.35
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass256.11216277
Monoisotopic Mass256.11216277
Topological Polar Surface Area94.6 Ų
Heavy Atom Count17
Formal Charge0
Complexity306
Isotope Atom Count8
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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