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Fenbendazole Sulfoxide-d3

CAT: 0572-TRC-F246792-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F246792-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1228182-54-4
Synonyms
Trideuteriomethyl N-[5-(benzenesulfinyl)-1H-benzimidazol-2-yl]carbamate
Hazard Statement
Causes serious eye irritation; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])OC(=O)Nc1nc2ccc(cc2[nH]1)S(=O)c3ccccc3
Molecular Formula
C15 2H3 H10 N3 O3 S
Molecular Weight
318.37
InChI
InChI=1S/C15H13N3O3S/c1-21-15(19)18-14-16-12-8-7-11(9-13(12)17-14)22(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)/i1D3
Additionnal Information
IUPAC name: trideuteriomethyl N-[6-(benzenesulfinyl)-1H-benzimidazol-2-yl]carbamate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Fenbendazole sulfoxide-d3
CAS Number1228182-54-4
PubChem CID71312471
IUPAC Nametrideuteriomethyl N-[6-(benzenesulfinyl)-1H-benzimidazol-2-yl]carbamate
Molecular FormulaC15H13N3O3S
Molecular Weight318.4
XLogP2.3
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity428
SMILES
[2H]C([2H])([2H])OC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)C3=CC=CC=C3
InChI
InChI=1S/C15H13N3O3S/c1-21-15(19)18-14-16-12-8-7-11(9-13(12)17-14)22(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)/i1D3
InChIKey
BEZZFPOZAYTVHN-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of Fenbendazole sulfoxide-d3
CAS: 1228182-54-4
CID: 71312471
Formula: C15H13N3O3S
MW: 318.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.4
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass318.08659270
Monoisotopic Mass318.08659270
Topological Polar Surface Area103 Ų
Heavy Atom Count22
Formal Charge0
Complexity428
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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