| CAS Number | 51009-65-5 |
| Catalog Number | AG006UQQ(AGN-PC-0JVT93) |
| Chemical Name | 5-(4-DIETHYLAMINO-BENZYLIDENE)-2-THIOXO-IMIDAZOLIDIN-4-ONE |
| IUPAC Name | 5-[[4-(diethylamino)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one |
| InChI | InChI=1S/C14H17N3OS/c1-3-17(4-2)11-7-5-10(6-8-11)9-12-13(18)16-14(19)15-12/h5-9H,3-4H2,1-2H3,(H2,15,16,18,19) |
| InChI Key | RHTNYOJDJNSDCD-UHFFFAOYSA-N |
| MDL Number | MFCD00479456 |
| Molecular Formula | C14H17N3OS |
| Molecular Weight | 275.3693 |
| SMILES | O=C(C(N1)=CC2=CC=C(N(CC)CC)C=C2)NC1=S |
| Synonyms | 4-Imidazolidinone,5-[[4-(diethylamino)phenyl]methylene]-2-thioxo-,
51009-65-5,
AC1MD9PW,
CTK4J3479,
AKOS030745120,
MCULE-5497573134,
5-(4-(Diethylamino)benzylidene)-2-thioxoimidazolidin-4-one,
ZINC00187905,
CID2833283,
5-[[4-(diethylamino)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one,
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| Complexity | 382 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.37g/mol |
| Monoisotopic Mass | 275.109g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 76.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number