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Amino Albendazole

CAT: 0572-TRC-A580945-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A580945-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
80983-36-4
Synonyms
5-(Propylsulphanyl)-1H-benzimidazol-2-amine; Albendazole Imp. A (EP); Ph Eur Albendazole Impurity A; SKF-78155; Albendazole Impurity A
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
CCCSc1ccc2[nH]c(N)nc2c1
Molecular Formula
C10 H13 N3 S
Molecular Weight
207.3
InChI
InChI=1S/C10H13N3S/c1-2-5-14-7-3-4-8-9(6-7)13-10(11)12-8/h3-4,6H,2,5H2,1H3,(H3,11,12,13)
Additionnal Information
IUPAC name: 5-propylsulfanyl-1H-benzimidazol-2-amine
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Albendazole amine
CAS Number80983-36-4
PubChem CID134030
IUPAC Name6-propylsulfanyl-1H-benzimidazol-2-amine
Molecular FormulaC10H13N3S
Molecular Weight207.30
XLogP2.7
Topological Polar Surface Area80
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity188
SMILES
CCCSC1=CC2=C(C=C1)N=C(N2)N
InChI
InChI=1S/C10H13N3S/c1-2-5-14-7-3-4-8-9(6-7)13-10(11)12-8/h3-4,6H,2,5H2,1H3,(H3,11,12,13)
InChIKey
RKMOQLOKJZARIG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Albendazole amine
CAS: 80983-36-4
CID: 134030
Formula: C10H13N3S
MW: 207.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight207.30
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass207.08301860
Monoisotopic Mass207.08301860
Topological Polar Surface Area80 Ų
Heavy Atom Count14
Formal Charge0
Complexity188
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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