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Luliconazole Impurity G

CAT: 1299-RM-L120307-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-L120307-01Size:10 mg
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CAS Number
1582735-58-7
Synonyms
(R, E) -2- (4- (2,4-dichlorophenyl) -1,3-dithiolan-2-ylidene) -2- (1H-imidazol-1-yl) acetamide
Molecular Formula
C14H11Cl2N3OS2
Molecular Weight
372.29
Target Alternative Name
Luliconazole
Product Name Synonym
(R, E) -2- (4- (2,4-dichlorophenyl) -1,3-dithiolan-2-ylidene) -2- (1H-imidazol-1-yl) acetamide

Chemical Information

(R,E)-2-(4-(2,4-Dichlorophenyl)-1,3-dithiolan-2-ylidene)-2-(1H-imidazol-1-yl)acetamide
CAS Number1582735-58-7
PubChem CID117956589
IUPAC Name(2E)-2-[(4R)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-ylacetamide
Molecular FormulaC14H11Cl2N3OS2
Molecular Weight372.3
XLogP3.1
Topological Polar Surface Area112
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity477
SMILES
C1[C@H](S/C(=C(\C(=O)N)/N2C=CN=C2)/S1)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C14H11Cl2N3OS2/c15-8-1-2-9(10(16)5-8)11-6-21-14(22-11)12(13(17)20)19-4-3-18-7-19/h1-5,7,11H,6H2,(H2,17,20)/b14-12+/t11-/m0/s1
InChIKey
APMRUCKYYVVXMP-DLGQCPFBSA-N
Chemical Structure
2D Structure
2D structure of (R,E)-2-(4-(2,4-Dichlorophenyl)-1,3-dithiolan-2-ylidene)-2-(1H-imidazol-1-yl)acetamide
CAS: 1582735-58-7
CID: 117956589
Formula: C14H11Cl2N3OS2
MW: 372.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.3
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass370.9720597
Monoisotopic Mass370.9720597
Topological Polar Surface Area112 Ų
Heavy Atom Count22
Formal Charge0
Complexity477
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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