| CAS Number | 256424-63-2 |
| Catalog Number | AG00BHGR(AGN-PC-0WH5H2) |
| Chemical Name | (S,E)-2-(4-(2,4-Dichlorophenyl)-1,3-dithiolan-2-ylidene)-2-(1H-imidazol-1-yl)acetonitrile |
| IUPAC Name | (2E)-2-[(4S)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene]-2-imidazol-1-ylacetonitrile |
| 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-/m1/s1 |
| InChI Key | YTAOBBFIOAEMLL-MNWMYKRDSA-N |
| MDL Number | MFCD30478620 |
| Molecular Formula | C14H9Cl2N3S2 |
| Molecular Weight | 354.2774 |
| SMILES | Clc1c(ccc(c1)Cl)[C@@H]1S/C(=C(C#N)/n2ccnc2)/SC1 |
| UNII | 757AJC6576 |
| Synonyms | UNII-757AJC6576,
757AJC6576,
Luliconazole, (+)-,
256424-63-2,
Luliconazole, E-(+)-,
(S)-Luliconazole,
SCHEMBL9920589,
ZINC8383240,
AKOS030524855,
1H-Imidazole-1-acetonitrile, alpha-((4S)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene)-, (alphaE)-,
UNII-5JA16R08FJ component YTAOBBFIOAEMLL-MNWMYKRDSA-N,
Luliconazole,
187164-19-8,
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| Complexity | 476 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 352.961g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 354.267g/mol |
| Monoisotopic Mass | 352.961g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 92.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number