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Albendazole Sulfoxide

CAT: 0572-TRC-A511620-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A511620-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
54029-12-8
Synonyms
Carbamic acid, [5-(propylsulfinyl)-1H-benzimidazol-2-yl]-, methyl ester (9CI); (±)-Albendazole sulfoxide; Albendazole oxide; Methyl [5-(propylsulfinyl)-1H-benzimidazol-2-yl]carbamate; RS 8852; Ricobendazole; Rycobendazole; Albendazole Imp. B (EP); SKF-77664; Ph Eur Albendazole Impurity B; Albendazole Impurity B
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CCCS(=O)c1ccc2[nH]c(NC(=O)OC)nc2c1
Molecular Formula
C12 H15 N3 O3 S
Molecular Weight
281.33
InChI
InChI=1S/C12H15N3O3S/c1-3-6-19(17)8-4-5-9-10(7-8)14-11(13-9)15-12(16)18-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
Additionnal Information
IUPAC name: methyl N-(5-propylsulfinyl-1H-benzimidazol-2-yl)carbamate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Albendazole Oxide

Albendazole S-oxide is a sulfoxide. It is functionally related to an albendazole.

CAS Number54029-12-8
PubChem CID83969
IUPAC Namemethyl N-(6-propylsulfinyl-1H-benzimidazol-2-yl)carbamate
Molecular FormulaC12H15N3O3S
Molecular Weight281.33
XLogP1.4
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count19
Formal Charge0
Complexity353
SMILES
CCCS(=O)C1=CC2=C(C=C1)N=C(N2)NC(=O)OC
InChI
InChI=1S/C12H15N3O3S/c1-3-6-19(17)8-4-5-9-10(7-8)14-11(13-9)15-12(16)18-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
InChIKey
VXTGHWHFYNYFFV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Albendazole Oxide
CAS: 54029-12-8
CID: 83969
Formula: C12H15N3O3S
MW: 281.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight281.33
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass281.08341252
Monoisotopic Mass281.08341252
Topological Polar Surface Area103 Ų
Heavy Atom Count19
Formal Charge0
Complexity353
Isotope Atom Count0
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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