| CAS Number | 669747-27-7 |
| Catalog Number | AG0064MR(AGN-PC-0TMS1O) |
| Chemical Name | (5E)-5-(2-isobutoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one |
| IUPAC Name | (5E)-5-[[2-(2-methylpropoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| InChI | InChI=1S/C14H15NO2S2/c1-9(2)8-17-11-6-4-3-5-10(11)7-12-13(16)15-14(18)19-12/h3-7,9H,8H2,1-2H3,(H,15,16,18)/b12-7+ |
| InChI Key | ARDDFMTZKQMGBZ-KPKJPENVSA-N |
| MDL Number | MFCD04968966 |
| Molecular Formula | C14H15NO2S2 |
| Molecular Weight | 293.4044 |
| SMILES | N1C(=O)/C(/SC=1S)=CC1=CC=CC=C1OCC(C)C |
| Synonyms | (5E)-5-(2-isobutoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one,
669747-27-7,
ALBB-009181,
ZX-AN008076,
ZX-CM001419,
7844AE,
MFCD04968966,
ZINC15933438,
AKOS000307520,
AJ-68034,
I01-13132,
(5E)-5-{[2-(2-methylpropoxy)phenyl]methylidene}-2-sulfanyl-1,3-thiazol-4-one,
C14H15NO2S2,
(E)-5-(2-Isobutoxybenzylidene)-2-mercaptothiazol-4(5H)-one,
|
| Complexity | 393 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 293.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.399g/mol |
| Monoisotopic Mass | 293.054g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 95.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number