Luliconazole

C14H9Cl2N3S2CAS 187164-19-8354.27 g/mol

Open in Covalent MOL file
NSClClSNN
AlkeneAryl halideNitrileSulfide

Properties

Molecular formula
C14H9Cl2N3S2
Molar mass
354.27 g/mol
Exact mass
352.9615 Da
logP
5.06Crippen estimate
Polar surface area
41.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2
Stereocentres
Rin SMILES atom order
Double bonds
EE/Z, in SMILES order

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
187164-19-8
SMILES
N#C/C(=C1/SC[C@@H](c2ccc(Cl)cc2Cl)S1)n1ccnc1
InChIKey
YTAOBBFIOAEMLL-REQDGWNSSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 1H-Imidazole-1-acetonitrile, α-[(4R)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene]-, (αE)-
  • 1H-Imidazole-1-acetonitrile, α-[4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene]-, [R-(E)]-
  • (αE)-α-[(4R)-4-(2,4-Dichlorophenyl)-1,3-dithiolan-2-ylidene]-1H-imidazole-1-acetonitrile
  • NND 502
  • Lulicon
  • Luzu

Work with Luliconazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Lanoconazole101530-10-381 % similar (+-)-Alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol24155-42-842 % similar Miconazole22916-47-838 % similar Econazole27220-47-938 % similar Isoconazole27523-40-638 % similar Sulconazole nitrate61318-91-037 % similar Fenticonazole72479-26-637 % similar Enilconazole35554-44-037 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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