Luliconazole 500mg

CAT: 0628-A11481-500Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0628-A11481-500Size:500 mg

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CAS Number

187164-19-8

Chemical Information

Luliconazole

Luliconazole is a dichlorobenzene.

CAS Number	187164-19-8
PubChem CID	3003141
IUPAC Name	(2E)-2-[(4R)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-ylacetonitrile
Molecular Formula	C14H9Cl2N3S2
Molecular Weight	354.3
XLogP	4
Topological Polar Surface Area	92.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	476

SMILES

C1[C@H](S/C(=C(\C#N)/N2C=CN=C2)/S1)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C14H9Cl2N3S2/c15-9-1-2-10(11(16)5-9)13-7-20-14(21-13)12(6-17)19-4-3-18-8-19/h1-5,8,13H,7H2/b14-12+/t13-/m0/s1

InChIKey

YTAOBBFIOAEMLL-REQDGWNSSA-N

Chemical Structure

2D Structure

CAS: 187164-19-8

CID: 3003141

Formula: C14H9Cl2N3S2

MW: 354.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	354.3
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	352.9614950
Monoisotopic Mass	352.9614950
Topological Polar Surface Area	92.2 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	476
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes