| CAS Number | 292168-79-7 |
| Catalog Number | AG01EB20 |
| Chemical Name | KY1220 |
| IUPAC Name | 5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one |
| InChI | InChI=1S/C14H10N4O3S/c19-13-12(15-14(22)16-13)8-11-2-1-7-17(11)9-3-5-10(6-4-9)18(20)21/h1-8H,(H2,15,16,19,22) |
| InChI Key | FMLUAKSJMUPACD-UHFFFAOYSA-N |
| MDL Number | MFCD00609073 |
| Molecular Formula | C14H10N4O3S |
| Molecular Weight | 314.3192 |
| SMILES | [N+](=O)([O-])C1=CC=C(C=C1)N1C(=CC=C1)C=C1C(NC(N1)=S)=O |
| Synonyms | KY1220,
292168-79-7,
KY1220,
AC1N386G,
(5Z)-5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one,
HMS3364L22,
MCULE-2153265202,
AK689219,
5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-2-sulfanylideneimidazolidin-4-one,
CID4108380,
5-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-imidazolidin-4-one,
|
| Complexity | 523 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.319g/mol |
| Monoisotopic Mass | 314.047g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 124A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number