[Synonyms]
[Structure]
![5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-3-methyl-2-,sulfany](/file/upload/dataimg/135/1343885.png)
[ Properties Computed from Structure]
[ Descriptors Computed from Structure]
IUPAC Name: 5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-3-methyl-2-
sulfanylideneimidazolidin-4-one
Canonical SMILES: CN1C(=O)C(=CC2=CC(=C(C(=C2)I)O)OC)NC1=S
InChI: InChI=1/C12H11IN2O3S/c1-15-11(17)8(14-12(15)19)4-6-3-7(13)10(16)9(5-6)
18-2/h3-5,16H,1-2H3,(H,14,19)/f/h14H
[Structure]
[ Properties Computed from Structure]
| Molecular Weight | 390.19681 [g/mol] |
| Molecular Formula | C12H11IN2O3S |
| XLogP | 2 |
| H-Bond Donor | 2 |
| H-Bond Acceptor | 3 |
| Rotatable Bond Count | 2 |
| Tautomer Count | 9 |
| Exact Mass | 389.953506 |
| MonoIsotopic Mass | 389.953506 |
| Topological Polar Surface Area | 61.8 |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 429 |
| Isotope Atom Count | 0 |
| Defined Atom StereoCenter Count | 0 |
| Undefined Atom StereoCenter Count | 0 |
| Defined Bond StereoCenter Count | 0 |
| Undefined Bond StereoCenter Count | 1 |
| Covalently-Bonded Unit Count | 1 |
[ Descriptors Computed from Structure]
IUPAC Name: 5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-3-methyl-2-
sulfanylideneimidazolidin-4-one
Canonical SMILES: CN1C(=O)C(=CC2=CC(=C(C(=C2)I)O)OC)NC1=S
InChI: InChI=1/C12H11IN2O3S/c1-15-11(17)8(14-12(15)19)4-6-3-7(13)10(16)9(5-6)
18-2/h3-5,16H,1-2H3,(H,14,19)/f/h14H
