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Albendazole Sulfone

CAT: 0572-TRC-A511615-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A511615-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
75184-71-3
Synonyms
Carbamic acid, [5-(propylsulfonyl)-1H-benzimidazol-2-yl]-, methyl ester (9CI); Methyl [5-(propylsulfonyl)-1H-benzimidazol-2-yl]carbamate; Methyl [5-Propylsulphonyl)-1H-benzimidazol-2-yl]carbamate; Albendazole Imp. C (EP); SKF-63896; Ph Eur Albendazole Impurity C; Albendazole Impurity C
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
CCCS(=O)(=O)c1ccc2[nH]c(NC(=O)OC)nc2c1
Molecular Formula
C12 H15 N3 O4 S
Molecular Weight
297.33
InChI
InChI=1S/C12H15N3O4S/c1-3-6-20(17,18)8-4-5-9-10(7-8)14-11(13-9)15-12(16)19-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
Additionnal Information
IUPAC name: methyl N-(5-propylsulfonyl-1H-benzimidazol-2-yl)carbamate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Albendazole sulfone

Albendazole sulfone is an organic sulfide.

CAS Number75184-71-3
PubChem CID53174
IUPAC Namemethyl N-(6-propylsulfonyl-1H-benzimidazol-2-yl)carbamate
Molecular FormulaC12H15N3O4S
Molecular Weight297.33
XLogP1.6
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity448
SMILES
CCCS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)NC(=O)OC
InChI
InChI=1S/C12H15N3O4S/c1-3-6-20(17,18)8-4-5-9-10(7-8)14-11(13-9)15-12(16)19-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
InChIKey
CLSJYOLYMZNKJB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Albendazole sulfone
CAS: 75184-71-3
CID: 53174
Formula: C12H15N3O4S
MW: 297.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight297.33
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass297.07832714
Monoisotopic Mass297.07832714
Topological Polar Surface Area110 Ų
Heavy Atom Count20
Formal Charge0
Complexity448
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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